2-Diethylamino-N-(2,6-dimethyl-phenyl)-acetamide

ID: ALA79

Chembl Id: CHEMBL79

Cas Number: 137-58-6

PubChem CID: 3676

Product Number: L129221B

Max Phase: Approved

First Approval: 1948

Molecular Formula: C14H22N2O

Molecular Weight: 234.34

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: Anestacon | Embolex | Iontocaine | Lidocaine | Lidocainum | Lidocaton | Lidopen | Octocaine | Solarcaine | Xylestesin | ALGRX 3268 | ALGRX-3268 | NSC-40030 | lidocaine|137-58-6|Lignocaine|Xylocaine|2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide|Lidoderm|Alphacaine|Duncaine|Esracaine|Xylestesin|Cappicaine|Gravocain|Leostesin|Maricaine|Solarcaine|Isicaina|Solcain|Xylocain|L-Caine|Isicaine|Xylocitin|Rucaina|Xilina|Xycaine|Cito optadren|Anestacon|Lida-Mantle|Dentipatch|Xylotox|2-(Diethylamino)-2',Show More

Synonyms from Alternative Forms(56): Lidocaine HCl | Lignocaine hydrochloride | Lidocaine hydrochloride | Anhydrous lidocaine hydrochloride | Lidocaine hydrochloride anhydrous | Lidocaine hydrochloride monohydrate | Lidocaine hydrochloride usp | Lidocaini hydrochloridum | Lignocaine (as hydrochloride) | Xylocaine hydrochloride | NSC-757420 | Akten | Alphacaine hydrochloride | Anestacon | Anodesyn | Bismodyne | Bradosol plus | Calgel | Co-phenylcaine fte | Denela | Dequaspray | Emla | Germoloids | Germoloids complete | Glydo | Hemocane | Iglu | Instillagel | Laryng-o-jet kit | Laryngojet | Laryngotracheal anesthesia kit | Lido hcl | Lidocaine hydrochloride preservative free | Lidocaine hydrochloride viscous | Lidocaine viscous | Lidocaton | Lidopen | Lignokent | Lignospan special | Lignostab | Lignostab a 100 | Lignostab n | Lignostab-a | Lta ii kit | Medijel | Oragard | Pediatric lta kit | Preparation h | Rexocaine | Versatis | Xylocaine | Xylocaine dental | Xylocaine preservative free | Xylocaine viscous | Xylotox e80 | Zingo

Trade Names(14): Alphacaine | Anestacon | Dentipatch | Lidocaine | Lidoderm | Lignocaine Hcl | Lignostab | Lmx 4 | Oraqix | Vagisil | Xylocaine | Xylodase | Xylotox | Ztlido

Canonical SMILES:  CCN(CC)CC(=O)Nc1c(C)cccc1C

Standard InChI:  InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)

Standard InChI Key:  NNJVILVZKWQKPM-UHFFFAOYSA-N

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTRC Tchem Chymotrypsin C (381 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDH1 Tchem Malate dehydrogenase cytoplasmic (119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCN1A Tclin Sodium channel alpha subunits; brain (Types I, II, III) (374 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine receptor (115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNA5 Tclin Voltage-gated potassium channel subunit Kv1.5 (1353 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Skin (286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatocyte (2737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC22A1 Tchem Solute carrier family 22 member 1 (646 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPT Tclin Microtubule-associated protein tau (95507 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK1 Tchem MAP kinase ERK2 (25055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB1 Tchem P-glycoprotein 1 (14716 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB3 Tclin Beta-3 adrenergic receptor (5850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGTR2 Tchem Angiotensin II type 2 (AT-2) receptor (2549 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CALCR Tclin Calcitonin receptor (2215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR2 Tchem C-C chemokine receptor type 2 (5628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR4 Tclin C-C chemokine receptor type 4 (2819 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCR1 Tchem Interleukin-8 receptor A (2256 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCR2 Tchem Interleukin-8 receptor B (3491 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKAR Tclin Cholecystokinin A receptor (4460 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EDNRA Tclin Endothelin receptor ET-A (5008 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HMGCR Tclin HMG-CoA reductase (2475 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MC3R Tchem Melanocortin receptor 3 (5659 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MC4R Tclin Melanocortin receptor 4 (10016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MC5R Tchem Melanocortin receptor 5 (4283 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPY1R Tchem Neuropeptide Y receptor type 1 (5019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE5A Tclin Phosphodiesterase 5A (5113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTAFR Tchem Platelet activating factor receptor (2575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP1 Tchem Caspase-1 (6235 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSG Tchem Cathepsin G (2304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ELANE Tclin Leukocyte elastase (8173 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP9 Tchem Matrix metalloproteinase 9 (6779 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRKCA Tchem Protein kinase C alpha (5923 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK3 Tchem MAP kinase ERK1 (4725 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPP3CA Tchem Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform (1831 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FYN Tclin Tyrosine-protein kinase FYN (5308 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPRC Tchem Leukocyte common antigen (2317 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR6 Tchem Serotonin 6 (5-HT6) receptor (9749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIGMAR1 Tclin Sigma opioid receptor (6358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TACR1 Tclin Neurokinin 1 receptor (6273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TACR2 Tchem Neurokinin 2 receptor (3341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VIPR1 Tchem Vasoactive intestinal polypeptide receptor 1 (1904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC47A1 Tchem Multidrug and toxin extrusion protein 1 (147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNK2 Tclin Potassium channel subfamily K member 2 (490 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCN9A Tclin Sodium channel protein type IX alpha subunit (8393 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCN4A Tclin Sodium channel protein type IV alpha subunit (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCN3A Tclin Sodium channel protein type III alpha subunit (275 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (7708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNK18 Tclin Potassium channel subfamily K member 18 (30 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNK3 Tclin Potassium channel subfamily K member 3 (756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC6 Tclin Histone deacetylase 6 (20808 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE6A Tclin Phosphodiesterase 6A (126 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR7 Tclin Serotonin 7 (5-HT7) receptor (5576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD5 Tchem Dopamine D5 receptor (1597 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GIPR Tchem Gastric inhibitory polypeptide receptor (542 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR5A Tchem Serotonin 5a (5-HT5a) receptor (1433 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCKBR Tclin Cholecystokinin B receptor (3550 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCGR Tclin Glucagon receptor (2563 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GHSR Tclin Ghrelin receptor (6229 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EDNRB Tclin Endothelin receptor ET-B (1928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BDKRB1 Tchem Bradykinin B1 receptor (1859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CRHR2 Tchem Corticotropin releasing factor receptor 2 (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE4D Tclin Phosphodiesterase 4D (3546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MLNR Tchem Motilin receptor (1724 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NTSR1 Tchem Neurotensin receptor 1 (1525 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH3 Tclin Histamine H3 receptor (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1C Voltage-gated L-type calcium channel alpha-1C subunit (335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRC5 cell line (91 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ovis aries (854 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn5a Sodium channel protein type V alpha subunit (73 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn2a Sodium channel alpha subunits; brain (Types I, II, III) (344 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aorta (327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kcnd2 Potassium voltage-gated channel subfamily D member 2 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kcnb1 Potassium voltage-gated channel subfamily B member 1 (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ileum (856 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Heart (1007 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Maoa Monoamine oxidase A (498 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Maob Monoamine oxidase B (346 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (10718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei rhodesiense (7991 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei (78846 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichomonas vaginalis (2376 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Toxoplasma gondii (4585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pneumocystis carinii (749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania mexicana (936 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania major (2877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania infantum (5912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania donovani (89745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania amazonensis (3813 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Entamoeba histolytica (2676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptosporidium parvum (1150 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SUP35 Eukaryotic peptide chain release factor GTP-binding subunit (44 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrm1 Muscarinic acetylcholine receptor M1 (3437 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adra1a Alpha-1a adrenergic receptor (3346 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adra1b Alpha-1b adrenergic receptor (2470 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Akr1b1 Aldose reductase (4007 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Glra2 Glycine receptor (1745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Insr Insulin receptor (1750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LTC4S Leukotriene C4 synthase (1746 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Arachidonate 15-lipoxygenase (2064 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nos1 Nitric-oxide synthase, brain (2987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Progesterone receptor (1742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACE Angiotensin-converting enzyme (2863 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Htr1a Serotonin 1a (5-HT1a) receptor (8655 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Htr1b Serotonin 1b (5-HT1b) receptor (2343 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR4 Serotonin 4 (5-HT4) receptor (2870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ar Androgen Receptor (5522 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc22a5 Solute carrier family 22 member 5 (35 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (73 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (70 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (4203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (4256 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kcnk9 Potassium channel subfamily K member 9 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DGAT1 Diacylglycerol O-acyltransferase 1 (61 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LRAT Lecithin retinol acyltransferase (88 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cacna1c Voltage-gated L-type calcium channel alpha-1C subunit (1321 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Grin1 Glutamate (NMDA) receptor subunit zeta 1 (2166 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gabra1 GABA receptor alpha-1 subunit (2848 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cacna1b Voltage-gated N-type calcium channel alpha-1B subunit (471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ptgs1 Cyclooxygenase-1 (1373 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: YesChemical Probe: NoParenteral: Yes
Molecule Type: Small moleculeTopical: YesFirst In Class: NoBlack Box: Yes
Chirality: YesAvailability: YesProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 234.34Molecular Weight (Monoisotopic): 234.1732AlogP: 2.58#Rotatable Bonds: 5
Polar Surface Area: 32.34Molecular Species: NEUTRALHBA: 2HBD: 1
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: 13.78CX Basic pKa: 7.75CX LogP: 2.84CX LogD: 2.33
Aromatic Rings: 1Heavy Atoms: 17QED Weighted: 0.85Np Likeness Score: -1.69

References

1. Tenthorey PA, Adams HJ, Kronberg GH, Takman BH..  (1981)  New antiarrhythmic agents. 7. 2,3-Diaminopropionanilides.,  24  (9): [PMID:7288820] [10.1021/jm00141a008]
2. Hankovszky OH, Hideg K, Bódi I, Frank L..  (1986)  New antiarrhythmic agents. 2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamides and 2,2,5,5-tetramethylpyrrolidine-3-carboxamindes.,  29  (7): [PMID:3806567] [10.1021/jm00157a005]
3. Jorgensen WL, Duffy EM..  (2000)  Prediction of drug solubility from Monte Carlo simulations.,  10  (11): [PMID:10866370] [10.1016/s0960-894x(00)00172-4]
4. Lombardo F, Obach RS, Shalaeva MY, Gao F..  (2004)  Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics.,  47  (5): [PMID:14971904] [10.1021/jm030408h]
5. Anger T, Madge DJ, Mulla M, Riddall D..  (2001)  Medicinal chemistry of neuronal voltage-gated sodium channel blockers.,  44  (2): [PMID:11170622] [10.1021/jm000155h]
6. Suomalainen P, Johans C, Söderlund T, Kinnunen PK..  (2004)  Surface activity profiling of drugs applied to the prediction of blood-brain barrier permeability.,  47  (7): [PMID:15027870] [10.1021/jm0309001]
7. Nelson PH, Strosberg AM, Untch KG..  (1980)  Mono- and diaryl-2-quinuclidinylcarbinols with local anesthetic and antiarrhythmic activity.,  23  (2): [PMID:7359531] [10.1021/jm00176a014]
8. Stout DM, Black LA, Barcelon-Yang C, Matier WL, Brown BS, Quon CY, Stampfli HF..  (1989)  Ester derivatives of 2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol as short-acting antiarrhythmic agents. 1.,  32  (8): [PMID:2754714] [10.1021/jm00128a037]
9. Selassie CD, Hansch C, Khwaja TA..  (1990)  Structure-activity relationships of antineoplastic agents in multidrug resistance.,  33  (7): [PMID:2362268] [10.1021/jm00169a014]
10. Sanfilippo PJ, Urbanski M, Press JB, Dubinsky B, Moore JB..  (1988)  Synthesis of (aryloxy)alkylamines. 2. Novel imidazo-fused heterocycles with calcium channel blocking and local anesthetic activity.,  31  (11): [PMID:3184128] [10.1021/jm00119a026]
11. Morgan TK, Lis R, Marisca AJ, Argentieri TM, Sullivan ME, Wong SS..  (1987)  Synthesis and cardiac electrophysiological activity of 2- and 3-[(substituted phenyl)alkyl]quinuclidines. Structure-activity relationships.,  30  (12): [PMID:3681896] [10.1021/jm00395a014]
12. Lombardo F, Shalaeva MY, Tupper KA, Gao F..  (2001)  ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds.,  44  (15): [PMID:11448232] [10.1021/jm0100990]
13. Chorvat RJ, Black LA, Ranade VV, Barcelon-Yang C, Stout DM, Brown BS, Stampfli HF, Quon CY..  (1993)  Mono- and bis(aminomethyl)phenylacetic acid esters as short-acting antiarrhythmic agents. 2.,  36  (17): [PMID:8355250] [10.1021/jm00069a007]
14. Garrison GL, Berlin KD, Scherlag BJ, Lazzara R, Patterson E, Fazekas T, Sangiah S, Chen CL, Schubot FD, van der Helm D..  (1996)  Novel 3,7-diheterabicyclo[3.3.1]nonanes that possess predominant class III antiarrhythmic activity in 1-4 day post infarction dog models: X-ray diffraction analysis of 3-[4-(1H-imidazol-1-yl)benzoyl]-7-isopropyl-3,7-diazabicyclo[3.3.1]nona ne dihydroperchlorate.,  39  (13): [PMID:8691454] [10.1021/jm950772j]
15. Yoshida F, Topliss JG..  (2000)  QSAR model for drug human oral bioavailability.,  43  (13): [PMID:10891117] [10.1021/jm0000564]
16. Unger SH, Chiang GH..  (1981)  Octanol-physiological buffer distribution coefficients of lipophilic amines by reversed-phase high-performance liquid chromatography and their correlation with biological activity.,  24  (3): [PMID:6167716] [10.1021/jm00135a006]
17. Lombardo F, Obach RS, Shalaeva MY, Gao F..  (2002)  Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.,  45  (13): [PMID:12061889] [10.1021/jm0200409]
18. Johnson RE, Baizman ER, Becker C, Bohnet EA, Bell RH, Birsner NC, Busacca CA, Carabateas PM, Chadwick CC, Gruett MD..  (1993)  4,5-Dihydro-1-phenyl-1H-2,4-benzodiazepines: novel antiarrhythmic agents.,  36  (22): [PMID:8230126] [10.1021/jm00074a017]
19. Liberatore AM, Schulz J, Pommier J, Barthelemy MA, Huchet M, Chabrier PE, Bigg D..  (2004)  2-Alkyl-4-arylimidazoles: structurally novel sodium channel modulators.,  14  (13): [PMID:15177465] [10.1016/j.bmcl.2004.04.059]
20. McNeal ET, Lewandowski GA, Daly JW, Creveling CR..  (1985)  [3H]Batrachotoxinin A 20 alpha-benzoate binding to voltage-sensitive sodium channels: a rapid and quantitative assay for local anesthetic activity in a variety of drugs.,  28  (3): [PMID:2579237] [10.1021/jm00381a019]
21. Chrzanowski FA, McGrogan BA, Maryanoff BE..  (1985)  The pKa of butaclamol and the mode of butaclamol binding to central dopamine receptors.,  28  (3): [PMID:2579238] [10.1021/jm00381a022]
22. Colmenarejo G, Alvarez-Pedraglio A, Lavandera JL..  (2001)  Cheminformatic models to predict binding affinities to human serum albumin.,  44  (25): [PMID:11728183] [10.1021/jm010960b]
23. Seidler J, McGovern SL, Doman TN, Shoichet BK..  (2003)  Identification and prediction of promiscuous aggregating inhibitors among known drugs.,  46  (21): [PMID:14521410] [10.1021/jm030191r]
24. Tenthorey PA, Ronfeld RA, Feldman HS, Sandberg RV, McMaster PD, Smith ER..  (1981)  New antiarrhythmic agents. 4. 1'-(Aminoalkyl)-1,2,3,4-tetrahydronaphthalene-1-spiro-3'-pyrrolidine-2',5'-dione derivatives.,  24  (1): [PMID:7205874] [10.1021/jm00133a011]
25. McMaster PD, Byrnes EW, Block AJ, Tenthorey PA..  (1981)  New antiarrhythmic agents. 5. alpha-Aminoaceto-2,6-xylidides with functionalized amide alkyl substituents.,  24  (1): [PMID:7205876] [10.1021/jm00133a012]
26. Phillips GB, Morgan TK, Nickisch K, Lind JM, Gomez RP, Wohl RA, Argentieri TM, Sullivan ME..  (1990)  Synthesis and cardiac electrophysiological activity of aryl-substituted derivatives of the class III antiarrhythmic agent sematilide. Potential class I/III agents.,  33  (2): [PMID:2299628] [10.1021/jm00164a025]
27. Miyano S, Sumoto K, Satoh F, Shima K, Hayashimatsu M, Morita M, Aisaka K, Noguchi T..  (1985)  New antiarrhythmic agents. N-aryl-8-pyrrolizidinealkanamides.,  28  (6): [PMID:4009592] [10.1021/jm00383a005]
28. Bailey BR, Berlin KD, Holt EM, Scherlag BJ, Lazzara R, Brachmann J, van der Helm D, Powell DR, Pantaleo NS, Ruenitz PC..  (1984)  Synthesis, conformational analysis, and antiarrhythmic properties of 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one, 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane hydroperchlorate, and 7-benzyl-9-phenyl-3-thia-7-azabicyclo[3.3.1]nonan-9-ol hydroperchlorate and derivatives: single-crystal X-ray diffraction analysis and evidence for chair-chair and chair-boat conformers in the solid state.,  27  (6): [PMID:6737418] [10.1021/jm00372a010]
29. Thompson MD, Smith GS, Berlin KD, Holt EM, Scherlag BJ, van der Helm D, Muchmore SW, Fidelis KA..  (1987)  Synthesis and antiarrhythmic properties of novel 3-selena-7-azabicyclo[3.3.1]nonanes and derivatives. Single-crystal X-ray diffraction analysis of 7-benzyl-3-selena-7-azabicyclo[3.3.1]nonan-9-one and 7-benzyl-3-selena-7-azabicyclo[3.3.1]nonane hydroperchlorate.,  30  (5): [PMID:3572967] [10.1021/jm00388a006]
30. Tenthorey PA, Block AJ, Ronfeld RA, McMaster PD, Byrnes EW..  (1981)  New antiarrhythmic agents. 6. Quantitative structure-activity relationships of aminoxylidides.,  24  (7): [PMID:7277383] [10.1021/jm00139a007]
31. Caron G, Ermondi G..  (2005)  Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).,  48  (9): [PMID:15857133] [10.1021/jm048980b]
32. Ottaviani G, Martel S, Carrupt PA..  (2006)  Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability.,  49  (13): [PMID:16789751] [10.1021/jm060230+]
33. Vazzana I, Budriesi R, Terranova E, Ioan P, Ugenti MP, Tasso B, Chiarini A, Sparatore F..  (2007)  Novel quinolizidinyl derivatives as antiarrhythmic agents.,  50  (2): [PMID:17228875] [10.1021/jm060878m]
34. Plouvier B, Beatch GN, Jung GL, Zolotoy A, Sheng T, Clohs L, Barrett TD, Fedida D, Wang WQ, Zhu JJ, Liu Y, Abraham S, Lynn L, Dong Y, Wall RA, Walker MJ..  (2007)  Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.,  50  (12): [PMID:17506538] [10.1021/jm0604528]
35. Ottaviani G, Martel S, Carrupt PA..  (2007)  In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities.,  50  (4): [PMID:17300161] [10.1021/jm0611105]
36. Baert B, Deconinck E, Van Gele M, Slodicka M, Stoppie P, Bodé S, Slegers G, Vander Heyden Y, Lambert J, Beetens J, De Spiegeleer B..  (2007)  Transdermal penetration behaviour of drugs: CART-clustering, QSPR and selection of model compounds.,  15  (22): [PMID:17827020] [10.1016/j.bmc.2007.07.050]
37. Kornhuber J, Tripal P, Reichel M, Terfloth L, Bleich S, Wiltfang J, Gulbins E..  (2008)  Identification of new functional inhibitors of acid sphingomyelinase using a structure-property-activity relation model.,  51  (2): [PMID:18027916] [10.1021/jm070524a]
38. Henchoz Y, Guillarme D, Rudaz S, Veuthey JL, Carrupt PA..  (2008)  High-throughput log P determination by ultraperformance liquid chromatography: a convenient tool for medicinal chemists.,  51  (3): [PMID:18189348] [10.1021/jm7014809]
39. Costa JC, Neves JS, de Souza MV, Siqueira RA, Romeiro NC, Boechat N, e Silva PM, Martins MA..  (2008)  Synthesis and antispasmodic activity of lidocaine derivatives endowed with reduced local anesthetic action.,  18  (3): [PMID:18083513] [10.1016/j.bmcl.2007.11.122]
40. Santana L, González-Díaz H, Quezada E, Uriarte E, Yáñez M, Viña D, Orallo F..  (2008)  Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.,  51  (21): [PMID:18834112] [10.1021/jm800656v]
41. Santana L, González-Díaz H, Quezada E, Uriarte E, Yáñez M, Viña D, Orallo F..  (2008)  Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.,  51  (21): [PMID:18834112] [10.1021/jm800656v]
42. Wan H, Ahman M, Holmén AG..  (2009)  Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs.,  52  (6): [PMID:19256501] [10.1021/jm801441s]
43. Bard B, Carrupt PA, Martel S..  (2009)  Lipophilicity of basic drugs measured by hydrophilic interaction chromatography.,  52  (10): [PMID:19397318] [10.1021/jm9003945]
44. Ahlin G, Karlsson J, Pedersen JM, Gustavsson L, Larsson R, Matsson P, Norinder U, Bergström CA, Artursson P..  (2008)  Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1.,  51  (19): [PMID:18788725] [10.1021/jm8003152]
45. Koini EN, Papazafiri P, Vassilopoulos A, Koufaki M, Horváth Z, Koncz I, Virág L, Papp GJ, Varró A, Calogeropoulou T..  (2009)  5,7,8-Trimethyl-benzopyran and 5,7,8-trimethyl-1,4-benzoxazine aminoamide derivatives as novel antiarrhythmics against ischemia-reperfusion injury.,  52  (8): [PMID:19309156] [10.1021/jm801228h]
46. Wassvik CM, Holmén AG, Draheim R, Artursson P, Bergström CA..  (2008)  Molecular characteristics for solid-state limited solubility.,  51  (10): [PMID:18396854] [10.1021/jm701587d]
47. Coi A, Massarelli I, Testai L, Calderone V, Bianucci AM..  (2008)  Identification of "toxicophoric" features for predicting drug-induced QT interval prolongation.,  43  (11): [PMID:18262683] [10.1016/j.ejmech.2007.12.025]
48. Geronikaki A, Vicini P, Dabarakis N, Lagunin A, Poroikov V, Dearden J, Modarresi H, Hewitt M, Theophilidis G..  (2009)  Evaluation of the local anaesthetic activity of 3-aminobenzo[d]isothiazole derivatives using the rat sciatic nerve model.,  44  (2): [PMID:18534720] [10.1016/j.ejmech.2008.04.006]
49. Li H, Sun J, Sui X, Liu J, Yan Z, Liu X, Sun Y, He Z..  (2009)  First-principle, structure-based prediction of hepatic metabolic clearance values in human.,  44  (4): [PMID:18768239] [10.1016/j.ejmech.2008.07.027]
50. Varma MV, Feng B, Obach RS, Troutman MD, Chupka J, Miller HR, El-Kattan A..  (2009)  Physicochemical determinants of human renal clearance.,  52  (15): [PMID:19445515] [10.1021/jm900403j]
51. Lee PH, Conradi R, Shanmugasundaram V..  (2010)  Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay.,  20  (1): [PMID:19963379] [10.1016/j.bmcl.2009.11.039]
52. Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S..  (2009)  Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain.,  17  (19): [PMID:19734051] [10.1016/j.bmc.2009.08.022]
53. Wang Y, Jones PJ, Batts TW, Landry V, Patel MK, Brown ML..  (2009)  Ligand-based design and synthesis of novel sodium channel blockers from a combined phenytoin-lidocaine pharmacophore.,  17  (19): [PMID:19346132] [10.1016/j.bmc.2008.10.031]
54. Sui X, Sun J, Li H, Wang Y, Liu J, Liu X, Zhang W, Chen L, He Z..  (2009)  Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data.,  44  (11): [PMID:19586686] [10.1016/j.ejmech.2009.06.004]
55. Tasso B, Budriesi R, Vazzana I, Ioan P, Micucci M, Novelli F, Tonelli M, Sparatore A, Chiarini A, Sparatore F..  (2010)  Novel quinolizidinyl derivatives as antiarrhythmic agents: 2. Further investigation.,  53  (12): [PMID:20509610] [10.1021/jm100298d]
56. Feng BY, Toyama BH, Wille H, Colby DW, Collins SR, May BC, Prusiner SB, Weissman J, Shoichet BK..  (2008)  Small-molecule aggregates inhibit amyloid polymerization.,  (3): [PMID:18223646] [10.1038/nchembio.65]
57. Prado-Prado FJ, García-Mera X, González-Díaz H..  (2010)  Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species.,  18  (6): [PMID:20185316] [10.1016/j.bmc.2010.01.068]
58. Gozalbes R, Pineda-Lucena A..  (2010)  QSAR-based solubility model for drug-like compounds.,  18  (19): [PMID:20810286] [10.1016/j.bmc.2010.08.003]
59. Mo H, Balko KM, Colby DA..  (2010)  A practical deuterium-free NMR method for the rapid determination of 1-octanol/water partition coefficients of pharmaceutical agents.,  20  (22): [PMID:20864340] [10.1016/j.bmcl.2010.08.145]
60. Alelyunas YW, Empfield JR, McCarthy D, Spreen RC, Bui K, Pelosi-Kilby L, Shen C..  (2010)  Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.,  20  (24): [PMID:21055935] [10.1016/j.bmcl.2010.10.068]
61. PubChem BioAssay data set, 
62. PubChem BioAssay data set, 
63. PubChem BioAssay data set, 
64. PubChem BioAssay data set, 
65. Ward KW, Nagilla R, Jolivette LJ..  (2005)  Comparative evaluation of oral systemic exposure of 56 xenobiotics in rat, dog, monkey and human.,  35  (2): [PMID:16019946] [10.1080/00498250400028197]
66. Jolivette LJ, Ward KW..  (2005)  Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure.,  94  (7): [PMID:15920768] [10.1002/jps.20373]
67. Obach RS, Lombardo F, Waters NJ..  (2008)  Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.,  36  (7): [PMID:18426954] [10.1124/dmd.108.020479]
68. Amr Ael-G, Sherif MH, Assy MG, Al-Omar MA, Ragab I..  (2010)  Antiarrhythmic, serotonin antagonist and antianxiety activities of novel substituted thiophene derivatives synthesized from 2-amino-4,5,6,7-tetrahydro-N-phenylbenzo[b]thiophene-3-carboxamide.,  45  (12): [PMID:20950897] [10.1016/j.ejmech.2010.09.059]
69. Sinha N, Sen S..  (2011)  Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model.,  46  (2): [PMID:21185626] [10.1016/j.ejmech.2010.11.042]
70. Lowe R, Glen RC, Mitchell JB..  (2010)  Predicting phospholipidosis using machine learning.,  (5): [PMID:20799726] [10.1021/mp100103e]
71. Greene N, Fisk L, Naven RT, Note RR, Patel ML, Pelletier DJ..  (2010)  Developing structure-activity relationships for the prediction of hepatotoxicity.,  23  (7): [PMID:20553011] [10.1021/tx1000865]
72. Ekins S, Williams AJ, Xu JJ..  (2010)  A predictive ligand-based Bayesian model for human drug-induced liver injury.,  38  (12): [PMID:20843939] [10.1124/dmd.110.035113]
73. Fourches D, Barnes JC, Day NC, Bradley P, Reed JZ, Tropsha A..  (2010)  Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.,  23  (1): [PMID:20014752] [10.1021/tx900326k]
74. Kruhlak NL, Choi SS, Contrera JF, Weaver JL, Willard JM, Hastings KL, Sancilio LF..  (2008)  Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.,  18  (2): [PMID:20020916] [10.1080/15376510701857262]
75. Unpublished dataset, 
76. PubChem BioAssay data set, 
77. PubChem BioAssay data set, 
78. Gozalbes R, Jacewicz M, Annand R, Tsaioun K, Pineda-Lucena A..  (2011)  QSAR-based permeability model for drug-like compounds.,  19  (8): [PMID:21458999] [10.1016/j.bmc.2011.03.011]
79. Abraham MH, Ibrahim A, Acree WE..  (2008)  Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.,  43  (3): [PMID:17544548] [10.1016/j.ejmech.2007.04.002]
80. PubChem BioAssay data set, 
81. PubChem BioAssay data set, 
82. Polli JW, Wring SA, Humphreys JE, Huang L, Morgan JB, Webster LO, Serabjit-Singh CS..  (2001)  Rational use of in vitro P-glycoprotein assays in drug discovery.,  299  (2): [PMID:11602674]
83. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, 
84. Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W..  (2011)  Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).,  (12): [PMID:22194678] [10.1371/journal.pcbi.1002310]
85. Catalano A, Desaphy JF, Lentini G, Carocci A, Di Mola A, Bruno C, Carbonara R, De Palma A, Budriesi R, Ghelardini C, Perrone MG, Colabufo NA, Conte Camerino D, Franchini C..  (2012)  Synthesis and toxicopharmacological evaluation of m-hydroxymexiletine, the first metabolite of mexiletine more potent than the parent compound on voltage-gated sodium channels.,  55  (3): [PMID:22191686] [10.1021/jm201197z]
86. Ohashi R, Tamai I, Nezu Ji J, Nikaido H, Hashimoto N, Oku A, Sai Y, Shimane M, Tsuji A..  (2001)  Molecular and physiological evidence for multifunctionality of carnitine/organic cation transporter OCTN2.,  59  (1): [PMID:11160873] [10.1124/mol.59.2.358]
87. Nagy H, Goda K, Fenyvesi F, Bacsó Z, Szilasi M, Kappelmayer J, Lustyik G, Cianfriglia M, Szabó G..  (2004)  Distinct groups of multidrug resistance modulating agents are distinguished by competition of P-glycoprotein-specific antibodies.,  315  (1): [PMID:14985103] [10.1016/j.bbrc.2004.01.156]
88. Wang E, Lew K, Barecki M, Casciano CN, Clement RP, Johnson WW..  (2001)  Quantitative distinctions of active site molecular recognition by P-glycoprotein and cytochrome P450 3A4.,  14  (1): [PMID:11743742] [10.1021/tx010125x]
89. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 
90. Joca HC, Cruz-Mendes Y, Oliveira-Abreu K, Maia-Joca RP, Barbosa R, Lemos TL, Lacerda Beirão PS, Leal-Cardoso JH..  (2012)  Carvacrol decreases neuronal excitability by inhibition of voltage-gated sodium channels.,  75  (9): [PMID:22967040] [10.1021/np300050g]
91. Więckowski K, Sałat K, Bytnar J, Bajda M, Filipek B, Stables JP, Malawska B..  (2012)  Search for anticonvulsant and analgesic active derivatives of dihydrofuran-2(3H)-one.,  20  (21): [PMID:23010454] [10.1016/j.bmc.2012.08.037]
92. Wittwer MB, Zur AA, Khuri N, Kido Y, Kosaka A, Zhang X, Morrissey KM, Sali A, Huang Y, Giacomini KM..  (2013)  Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.,  56  (3): [PMID:23241029] [10.1021/jm301302s]
93. Bagal SK, Brown AD, Cox PJ, Omoto K, Owen RM, Pryde DC, Sidders B, Skerratt SE, Stevens EB, Storer RI, Swain NA..  (2013)  Ion channels as therapeutic targets: a drug discovery perspective.,  56  (3): [PMID:23121096] [10.1021/jm3011433]
94. Kalinin DV, Pantsurkin VI, Syropyatov BY, Kalinina SA, Rudakova IP, Vakhrin MI, Dolzhenko AV..  (2013)  Synthesis, local anaesthetic and antiarrhythmic activities of N-alkyl derivatives of proline anilides.,  63  [PMID:23474900] [10.1016/j.ejmech.2013.02.003]
95. Nakamura Y, Fujimoto T, Ogawa Y, Namiki H, Suzuki S, Asano M, Sugita C, Mochizuki A, Miyazaki S, Tamaki K, Nagai Y, Inoue S, Nagayama T, Kato M, Chiba K, Takasuna K, Nishi T..  (2013)  Lead optimization of 5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxyhexanamides to reduce a cardiac safety issue: discovery of DS-8108b, an orally active renin inhibitor.,  21  (11): [PMID:23598247] [10.1016/j.bmc.2013.03.022]
96. Settimo L, Bellman K, Knegtel RM..  (2013)  Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.,  [PMID:24249037] [10.1007/s11095-013-1232-z]
97. Settimo L, Bellman K, Knegtel RM..  (2013)  Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.,  [PMID:24249037] [10.1007/s11095-013-1232-z]
98. Settimo L, Bellman K, Knegtel RM..  (2013)  Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.,  [PMID:24249037] [10.1007/s11095-013-1232-z]
99. Zha C, Brown GB, Brouillette WJ..  (2014)  A highly predictive 3D-QSAR model for binding to the voltage-gated sodium channel: design of potent new ligands.,  22  (1): [PMID:24332655] [10.1016/j.bmc.2013.11.049]
100. Zidar N, Jakopin Ž, Madge DJ, Chan F, Tytgat J, Peigneur S, Dolenc MS, Tomašić T, Ilaš J, Mašič LP, Kikelj D..  (2014)  Substituted 4-phenyl-2-aminoimidazoles and 4-phenyl-4,5-dihydro-2-aminoimidazoles as voltage-gated sodium channel modulators.,  74  [PMID:24440379] [10.1016/j.ejmech.2013.12.034]
101. PubChem BioAssay data set, 
102. PubChem BioAssay data set, 
103. Mateus A, Matsson P, Artursson P..  (2014)  A high-throughput cell-based method to predict the unbound drug fraction in the brain.,  57  (7): [PMID:24601604] [10.1021/jm401963n]
104. Neumeyer JL, Perianayagam C, Ruchirawat S..  (1977)  Isoquinolines. 5. Synthesis and antiarrhythmic activity of benzylisoquinoline derivatives.,  20  (7): [PMID:874964] [10.1021/jm00217a005]
105. McMaster PD, Byrnes EW, Feldman HS, Takman BH, Tenthorey PA..  (1979)  New antiarrhythmic agents. 2. Amide alkyl alpha-amino xylidides.,  22  (10): [PMID:513065] [10.1021/jm00196a006]
106. Tenthorey PA, DiRubio RL, Feldman HS, Takman BH, Byrnes EW, McMaster PD..  (1979)  New antiarrhythmic agents. 3. Primary beta-amino anilides.,  22  (10): [PMID:513066] [10.1021/jm00196a007]
107. Christy ME, Colton CD, Mackay M, Staas WH, Wong JB, Engelhardt EL, Torchiana M, Stone CA..  (1977)  2-, 3-, and 4-(alpha, alpha, beta, beta-tetrafluorophenethyl)benzylamines. A new class of antiarrhythmic agents.,  20  (3): [PMID:845875] [10.1021/jm00213a021]
108. Kornet MJ, Thio AP..  (1976)  Oxindole-3-spiropyrrolidines and -piperidines. Synthesis and local anesthetic activity.,  19  (7): [PMID:940109] [10.1021/jm00229a007]
109. Banitt EH, Bronn WR, Coyne WE, Schmid JR..  (1977)  Antiarrhythmics. 2. Synthesis and antiarrhythmic activity of N-(piperidylalkyl)trifluoroethoxybenzamides.,  20  (6): [PMID:874956] [10.1021/jm00216a016]
110. Waraszkiewicz SM, Foye WO, Adams HJ, Takman BH..  (1976)  Local anesthetics. 2-Diethylamino-2',6'-acylxylidides.,  19  (4): [PMID:1263207] [10.1021/jm00226a019]
111. Nelson SD, Nelson WL, Trager WF..  (1978)  N-Hydroxyamide metabolites of lidocaine. Synthesis, characterization, quantitation, and mutagenic potential.,  21  (8): [PMID:690997] [10.1021/jm00206a001]
112. Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B..  (2015)  Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo.,  23  (10): [PMID:25868744] [10.1016/j.bmc.2015.03.051]
113. Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B..  (2015)  Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents.,  23  (7): [PMID:25707322] [10.1016/j.bmc.2015.01.045]
114. Di L, Umland JP, Chang G, Huang Y, Lin Z, Scott DO, Troutman MD, Liston TE..  (2011)  Species independence in brain tissue binding using brain homogenates.,  39  (7): [PMID:21474681] [10.1124/dmd.111.038778]
115. Farrell TL, Poquet L, Dew TP, Barber S, Williamson G..  (2012)  Predicting phenolic acid absorption in Caco-2 cells: a theoretical permeability model and mechanistic study.,  40  (2): [PMID:22096083] [10.1124/dmd.111.041665]
116. Zanelli U, Caradonna NP, Hallifax D, Turlizzi E, Houston JB..  (2012)  Comparison of cryopreserved HepaRG cells with cryopreserved human hepatocytes for prediction of clearance for 26 drugs.,  40  (1): [PMID:21998403] [10.1124/dmd.111.042309]
117. Vivier D, Bennis K, Lesage F, Ducki S..  (2016)  Perspectives on the Two-Pore Domain Potassium Channel TREK-1 (TWIK-Related K(+) Channel 1). A Novel Therapeutic Target?,  59  (11): [PMID:26588045] [10.1021/acs.jmedchem.5b00671]
118. WHO Anatomical Therapeutic Chemical Classification, 
119. British National Formulary (72nd edition), 
120. Monteillier A, Loucif A, Omoto K, Stevens EB, Lainez S, Saintot PP, Cao L, Pryde DC..  (2016)  Investigation of the structure activity relationship of flufenamic acid derivatives at the human TRESK channel K2P18.1.,  26  (20): [PMID:27641472] [10.1016/j.bmcl.2016.09.020]
121. Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S..  (2017)  N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.,  25  (2): [PMID:27908752] [10.1016/j.bmc.2016.11.032]
122. Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B..  (2016)  Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT6 receptor antagonists. Design, synthesis and biological evaluation.,  124  [PMID:27560283] [10.1016/j.ejmech.2016.08.016]
123. DrugMatrix,  [10.6019/CHEMBL3885881]
124. DailyMed|setid=823c2d42-d00d-401d-4081-fc1d434455e0 | EMLA- lidocaine cream|APP Pharmaceuticals, LLC, 
125. DailyMed|setid=1b5826d4-5177-42b9-8ac2-d35071b4bccb | DENTIPATCH- lidocaine patch|Noven Parmaceuticals, Inc., 
126. Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park BG, Moon B, Park HM, Roh EJ..  (2017)  Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction.,  128  [PMID:28152427] [10.1016/j.ejmech.2016.12.057]
127. Morgan RE, Trauner M, van Staden CJ, Lee PH, Ramachandran B, Eschenberg M, Afshari CA, Qualls CW, Lightfoot-Dunn R, Hamadeh HK..  (2010)  Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.,  118  (2): [PMID:20829430] [10.1093/toxsci/kfq269]
128. Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK..  (2013)  A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.,  136  (1): [PMID:23956101] [10.1093/toxsci/kft176]
129. Chen M, Suzuki A, Thakkar S, Yu K, Hu C, Tong W..  (2016)  DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.,  21  (4): [PMID:26948801] [10.1016/j.drudis.2016.02.015]
130. Unpublished dataset, 
131. Katie Heiser, Peter F. McLean, Chadwick T. Davis, Ben Fogelson, Hannah B. Gordon, Pamela Jacobson, Brett Hurst, Ben Miller, Ronald W. Alfa, Berton A. Earnshaw, Mason L. Victors, Yolanda T. Chong, Imran S. Haque, Adeline S. Low, Christopher C. Gibson.  (2020)  Identification of potential treatments for COVID-19 through artificial intelligence-enabled phenomic analysis of human cells infected with SARS-CoV-2,  [10.1101/2020.04.21.054387]
132. Bedoya M, Rinné S, Kiper AK, Decher N, González W, Ramírez D..  (2019)  TASK Channels Pharmacology: New Challenges in Drug Design.,  62  (22): [PMID:31260312] [10.1021/acs.jmedchem.9b00248]
133.  (2013)  Method for treating skin with retinoids and retinoid boosters, 
134. Johannes Zuegg, Alysha Elliott, Maite Amado, Emma Cowie, Ali Hinton, Geraldine Kaeslin, Angela Kavanagh, Anne Kunert, Gabriell Lowe, Soumya Ramu, Janet Reid, Robin Trauer, Mathilde Desselle, Ruth Neale, Karl Hansford, Mark Blascovich, Matthew Cooper. CO-ADD screening of NIH (USA) - Clinical Collection,  [10.6019/CHEMBL4513141]
135. Ellen Van Damme.  (2021)  Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity,  [10.6019/CHEMBL4651402]
136. Košak U,Strašek N,Knez D,Jukič M,Žakelj S,Zahirović A,Pišlar A,Brazzolotto X,Nachon F,Kos J,Gobec S.  (2020)  N-alkylpiperidine carbamates as potential anti-Alzheimer's agents.,  197  [PMID:32380361] [10.1016/j.ejmech.2020.112282]
137. Bernhard Ellinger, Justus Dick, Vanessa Lage-Rupprecht, Bruce Schultz, Andrea Zaliani, Marcin Namysl, Stephan Gebel, Ole Pless, Jeanette Reinshagen, Christian Ebeling, Alexander Esser, Marc Jacobs, Carsten Claussen, and Martin Hofmann-Apitius.  (2021)  HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators,  [10.6019/CHEMBL4808148]
138. Dąbrowska M, Starek M, Chłoń-Rzepa G, Zagórska A, Komsta Ł, Jankowska A, Ślusarczyk M, Pawłowski M..  (2021)  Estimation of the lipophilicity of purine-2,6-dione-based TRPA1 antagonists and PDE4/7 inhibitors with analgesic activity.,  49  [PMID:34391892] [10.1016/j.bmcl.2021.128318]
139. Zheng M, Li C, Zhou M, Jia R, Cai G, She F, Wei L, Wang S, Yu J, Wang D, Calcul L, Sun X, Luo X, Cheng F, Li Q, Wang Y, Cai J..  (2021)  Discovery of Cyclic Peptidomimetic Ligands Targeting the Extracellular Domain of EGFR.,  64  (15.0): [PMID:34297567] [10.1021/acs.jmedchem.1c00607]
140. Kitano Y, Shinozuka T..  (2022)  Inhibition of NaV1.7: the possibility of ideal analgesics.,  13  (8.0): [PMID:36092147] [10.1039/d2md00081d]
141. Vallaro M, Ermondi G, Saame J, Leito I, Caron G..  (2023)  Ionization and lipophilicity in nonpolar media mimicking the cell membrane interior.,  81  [PMID:36796127] [10.1016/j.bmc.2023.117203]
142. Sutherland JJ, Yonchev D, Fekete A, Urban L..  (2023)  A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.,  14  (1): [PMID:37468498] [10.1038/s41467-023-40064-9]