(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-picene-2-carboxylic acid

ID: ALA301982

Chembl Id: CHEMBL301982

Max Phase: Preclinical

Molecular Formula: C29H38O4

Molecular Weight: 450.62

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: Celastrol

Canonical SMILES:  CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C

Standard InChI:  InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1

Standard InChI Key:  KQJSQWZMSAGSHN-JJWQIEBTSA-N

Alternative Forms

  1. Parent:

    ALA301982

    CELASTROL

Associated Targets(Human)

Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-8 (3484 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
1A9 (618 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
1A9/ptx-10 (150 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lu1 (576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-2 (46422 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A-431 (6446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ZR-75-1 (953 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Col2 (437 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SH-SY5Y (11521 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSF1 Tchem Heat shock factor protein 1 (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-SH (1499 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW-620 (52400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THP-1 (11052 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN1 Tchem Protein-tyrosine phosphatase 1B (8528 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90AB1 Tchem Heat shock protein HSP 90-beta (1689 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDC37 Tbio Hsp90 co-chaperone Cdc37 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SN12C (47755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-N (28205 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H23 (49055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHN (49357 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UO-31 (46270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOP-92 (41141 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-539 (44845 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-5 (47095 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Malme-3M (44254 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOP-62 (47048 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI/ADR-RES (33767 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-5 (45555 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-19 (46794 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SR (39847 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TK-10 (45540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H522 (44358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M14 (47487 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KM12 (47707 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H322M (45589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-4 (44535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LOX IMVI (44321 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BT-549 (31254 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-75 (44215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC 2998 (41480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-15 (51914 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-268 (49410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EKVX (44102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-62 (47335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAKI-1 (44928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IGROV-1 (47897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hs-578T (29457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
786-0 (47912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-257 (46019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H226 (44470 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXF 393 (41971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGC-803 (6426 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TERT Tchem Telomerase reverse transcriptase (2428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90AA1 Tchem Heat shock protein HSP90 (3606 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bel-7402 (4577 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGC-7901 (2773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BJ (6930 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-BR-3 (5175 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS17 Tchem Regulator of G-protein signaling 17 (69 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RWPE-1 (201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L132 (227 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1299 (3248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Daudi (625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOS (906 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A2780 (11979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPN2 Tchem T-cell protein-tyrosine phosphatase (1317 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTEN Tchem Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPRJ Tbio Receptor-type tyrosine-protein phosphatase eta (7 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTPRE Tbio Receptor-type tyrosine-protein phosphatase epsilon (68 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR4A1 Tchem Nuclear receptor subfamily 4 group A member 1 (458 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARM1 Tchem NAD(+) hydrolase SARM1 (87 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
QGY-7703 (248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMMC-7721 (5516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L02 (4864 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDO2 Tchem Tryptophan 2,3-dioxygenase (1554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hep 3B2 (2332 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BEAS-2B (690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB1 Tchem P-glycoprotein 1 (14716 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-BE(2) (28 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR4A2 Tchem Nuclear receptor subfamily 4 group A member 2 (460 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A 172 (535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LN-229 (376 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-87 MG (3946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BGC-823 (3035 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90AB1 Tchem Heat shock protein HSP 90-beta/Hsp90 co-chaperone Cdc37 (85 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mesenchymal stem cells (332 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP3 Tchem Caspase-3 (3632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGS (1999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KBM5 (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Kasumi 1 (420 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-266 (527 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MM1.S (1111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LP-1 (136 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H929 (451 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
C3A (109 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MKN-45 (2102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MKN-28 (466 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RCC4 (73 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UMSCC1 (87 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCC-4 (168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCC-38 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1975 (4994 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC827 (1172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NSCLC (640 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1650 (1118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H2228 (1030 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW13 (115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MG-63 (795 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SAOS-2 (672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAW264.7 (28094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P388 (20296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-12 (7051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Heat shock protein HSP 90 (63 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ache Acetylcholinesterase (12221 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
sidA L-ornithine N(5)-monooxygenase (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 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
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
groL GroEL/GroES (1042 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Danio rerio (3092 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sarm1 NAD(+) hydrolase SARM1 (23 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (11336 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhizoctonia solani (2251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Colletotrichum gloeosporioides (560 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Erysiphales (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cyp2c11 Cytochrome P450 2C11 (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cyp1a2 Cytochrome P450 1A2 (75 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cyp3a2 Cytochrome P450 3A2 (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: YesOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: 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: 450.62Molecular Weight (Monoisotopic): 450.2770AlogP: 6.70#Rotatable Bonds: 1
Polar Surface Area: 74.60Molecular Species: ACIDHBA: 3HBD: 2
#RO5 Violations: 1HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): 1
CX Acidic pKa: 4.78CX Basic pKa: CX LogP: 5.33CX LogD: 2.75
Aromatic Rings: 0Heavy Atoms: 33QED Weighted: 0.47Np Likeness Score: 3.33

References

1. Huang FC, Chan WK, Moriarty KJ, Zhang DC, Chang MN, He W, Yu KT, Zilberstein A..  (1998)  Novel cytokine release inhibitors. Part I: Triterpenes.,  (14): [PMID:9873452] [10.1016/s0960-894x(98)00331-x]
2. He W, Huang FC, Morytko M, Jariwala N, Yu KT..  (1998)  Novel cytokine release inhibitors. Part II: Steroids.,  (20): [PMID:9873630] [10.1016/s0960-894x(98)00521-6]
3. He W, Huang FC, Gavai A, Chan WK, Amato G, Yu KT, Zilberstein A..  (1998)  Novel cytokine release inhibitors. Part III: Truncated analogs of tripterine.,  (24): [PMID:9934491] [10.1016/s0960-894x(98)00671-4]
4. He W, Gavai A, Huang FC, Regan J, Hanney B, Poli G, Bruno J, Chan WK, Djuric SW, Yu KT, Zilberstein A..  (1999)  Novel cytokine release inhibitors. Part IV: analogs of podocarpic acid.,  (3): [PMID:10091704] [10.1016/s0960-894x(99)00023-2]
5. Morita H, Hirasawa Y, Muto A, Yoshida T, Sekita S, Shirota O..  (2008)  Antimitotic quinoid triterpenes from Maytenus chuchuhuasca.,  18  (3): [PMID:18164197] [10.1016/j.bmcl.2007.12.016]
6. Ngassapa O, Soejarto DD, Pezzuto JM, Farnsworth NR..  (1994)  Quinone-methide triterpenes and salaspermic acid from Kokoona ochracea.,  57  (1): [PMID:8158155] [10.1021/np50103a001]
7. Chang FR, Hayashi K, Chen IH, Liaw CC, Bastow KF, Nakanishi Y, Nozaki H, Cragg GM, Wu YC, Lee KH..  (2003)  Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.,  66  (11): [PMID:14640511] [10.1021/np030241v]
8. Figueiredo JN, Räz B, Séquin U..  (1998)  Novel quinone methides from Salacia kraussii with in vitro antimalarial activity.,  61  (6): [PMID:9644053] [10.1021/np9704157]
9. Dat NT, Lee JH, Lee K, Hong YS, Kim YH, Lee JJ..  (2008)  Phenolic constituents of Amorpha fruticosa that inhibit NF-kappaB activation and related gene expression.,  71  (10): [PMID:18841906] [10.1021/np800383q]
10. Jin HZ, Hwang BY, Kim HS, Lee JH, Kim YH, Lee JJ..  (2002)  Antiinflammatory constituents of Celastrus orbiculatus inhibit the NF-kappaB activation and NO production.,  65  (1): [PMID:11809076] [10.1021/np010428r]
11. Lu Y, Ansar S, Michaelis ML, Blagg BS..  (2009)  Neuroprotective activity and evaluation of Hsp90 inhibitors in an immortalized neuronal cell line.,  17  (4): [PMID:19138859] [10.1016/j.bmc.2008.12.047]
12. Zhou Y, Wei L, Brady TP, Murali Mohan Redddy PS, Nguyen T, Chen J, Au Q, Yoon IS, Yip G, Zhang B, Barber JR, Ng SC..  (2009)  Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives as novel small molecule chaperone amplifiers.,  19  (15): [PMID:19502057] [10.1016/j.bmcl.2009.05.073]
13. Ryu YB, Park SJ, Kim YM, Lee JY, Seo WD, Chang JS, Park KH, Rho MC, Lee WS..  (2010)  SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii.,  20  (6): [PMID:20167482] [10.1016/j.bmcl.2010.01.152]
14. Dat NT, Jin X, Hong YS, Lee JJ..  (2010)  An isoaurone and other constituents from Trichosanthes kirilowii seeds inhibit hypoxia-inducible factor-1 and nuclear factor-kappaB.,  73  (6): [PMID:20469887] [10.1021/np900820p]
15. Sun H, Xu L, Yu P, Jiang J, Zhang G, Wang Y..  (2010)  Synthesis and preliminary evaluation of neuroprotection of celastrol analogues in PC12 cells.,  20  (13): [PMID:20627556] [10.1016/j.bmcl.2010.05.066]
16. Hulot C, Peluso J, Blond G, Muller CD, Suffert J..  (2010)  Synthesis of exotic polycycles such as cyclooctatrienes and fenestrenes with differential pro-apoptotic activities on human TRAIL-resistant metastatic cell lines.,  20  (22): [PMID:20864342] [10.1016/j.bmcl.2010.08.094]
17. Scott LM, Chen L, Daniel KG, Brooks WH, Guida WC, Lawrence HR, Sebti SM, Lawrence NJ, Wu J..  (2011)  Shp2 protein tyrosine phosphatase inhibitor activity of estramustine phosphate and its triterpenoid analogs.,  21  (2): [PMID:21193311] [10.1016/j.bmcl.2010.11.117]
18. Matts RL, Brandt GE, Lu Y, Dixit A, Mollapour M, Wang S, Donnelly AC, Neckers L, Verkhivker G, Blagg BS..  (2011)  A systematic protocol for the characterization of Hsp90 modulators.,  19  (1): [PMID:21129982] [10.1016/j.bmc.2010.10.029]
19. Aoyagi Y, Adachi Y, Ozawa K, Yokomizo C, Gui MY, Jin YR, Li XW, Ohno N, Takeya K..  (2011)  Synthesis of rabdokunmin C analogues and their inhibitory effect on NF-κB activation.,  19  (7): [PMID:21393004] [10.1016/j.bmc.2011.02.002]
20. Davenport J, Manjarrez JR, Peterson L, Krumm B, Blagg BS, Matts RL..  (2011)  Gambogic acid, a natural product inhibitor of Hsp90.,  74  (5): [PMID:21486005] [10.1021/np200029q]
21. Cuong TD, Hung TM, Na M, Ha do T, Kim JC, Lee D, Ryoo S, Lee JH, Choi JS, Min BS..  (2011)  Inhibitory effect on NO production of phenolic compounds from Myristica fragrans.,  21  (22): [PMID:21978676] [10.1016/j.bmcl.2011.09.021]
22. Park JE, Cuong TD, Hung TM, Lee I, Na M, Kim JC, Ryoo S, Lee JH, Choi JS, Woo MH, Min BS..  (2011)  Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.,  21  (23): [PMID:22024033] [10.1016/j.bmcl.2011.09.128]
23. Nam JW, Kang GY, Han AR, Lee D, Lee YS, Seo EK..  (2011)  Diarylheptanoids from the seeds of Alpinia katsumadai as heat shock factor 1 inducers.,  74  (10): [PMID:21942765] [10.1021/np200355n]
24. PubChem BioAssay data set, 
25. Johnson TA, Sohn J, Vaske YM, White KN, Cohen TL, Vervoort HC, Tenney K, Valeriote FA, Bjeldanes LF, Crews P..  (2012)  Myxobacteria versus sponge-derived alkaloids: the bengamide family identified as potent immune modulating agents by scrutiny of LC-MS/ELSD libraries.,  20  (14): [PMID:22705020] [10.1016/j.bmc.2012.05.043]
26. Venkatesha SH, Astry B, Nanjundaiah SM, Yu H, Moudgil KD..  (2012)  Suppression of autoimmune arthritis by Celastrus-derived Celastrol through modulation of pro-inflammatory chemokines.,  20  (17): [PMID:22854193] [10.1016/j.bmc.2012.06.050]
27. Brunhofer G, Fallarero A, Karlsson D, Batista-Gonzalez A, Shinde P, Gopi Mohan C, Vuorela P..  (2012)  Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.,  20  (22): [PMID:23062825] [10.1016/j.bmc.2012.09.040]
28. Min BS, Cuong TD, Hung TM, Min BK, Shin BS, Woo MH..  (2012)  Compounds from the heartwood of Caesalpinia sappan and their anti-inflammatory activity.,  22  (24): [PMID:23127886] [10.1016/j.bmcl.2012.10.055]
29. Cuong TD, Hung TM, Kim JC, Kim EH, Woo MH, Choi JS, Lee JH, Min BS..  (2012)  Phenolic compounds from Caesalpinia sappan heartwood and their anti-inflammatory activity.,  75  (12): [PMID:23234407] [10.1021/np3003673]
30. Nguyen TD, Duong TT, Le TPQ, Chau VM, Le MH, Dang DK, Lee JJ, Bourguet-Kondracki M.  (2011)  Inhibitory effects on nuclear factor B of the Vietnamese freshwater cyanobacteria,  20  (6): [10.1007/s00044-010-9409-z]
31. De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte P, Augustijns PF, Annaert PP..  (2013)  Structure-based identification of OATP1B1/3 inhibitors.,  83  (6): [PMID:23571415] [10.1124/mol.112.084152]
32. Cuong TD, Hung TM, Lee JS, Weon KY, Woo MH, Min BS..  (2015)  Anti-inflammatory activity of phenolic compounds from the whole plant of Scutellaria indica.,  25  (5): [PMID:25637363] [10.1016/j.bmcl.2014.12.055]
33. Tang WJ, Wang J, Tong X, Shi JB, Liu XH, Li J..  (2015)  Design and synthesis of celastrol derivatives as anticancer agents.,  95  [PMID:25812966] [10.1016/j.ejmech.2015.03.039]
34. Hall JA, Seedarala S, Rice N, Kopel L, Halaweish F, Blagg BS..  (2015)  Cucurbitacin D Is a Disruptor of the HSP90 Chaperone Machinery.,  78  (4): [PMID:25756299] [10.1021/acs.jnatprod.5b00054]
35. Kil YS, Choi SK, Lee YS, Jafari M, Seo EK..  (2015)  Chalcones from Angelica keiskei: Evaluation of Their Heat Shock Protein Inducing Activities.,  78  (10): [PMID:26431394] [10.1021/acs.jnatprod.5b00633]
36. Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL..  (2016)  Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties.,  24  (21): [PMID:27647369] [10.1016/j.bmc.2016.08.070]
37. He Y, Wu M, Liu Y, Li Q, Li X, Hu L, Cen S, Zhou J..  (2016)  Identification of Triptophenolide from Tripterygium wilfordii as a Pan-antagonist of Androgen Receptor.,  (12): [PMID:27994731] [10.1021/acsmedchemlett.6b00180]
38. Shan WG, Wang HG, Chen Y, Wu R, Wen YT, Zhang LW, Ying YM, Wang JW, Zhan ZJ..  (2017)  Synthesis of 3- and 29-substituted celastrol derivatives and structure-activity relationship studies of their cytotoxic activities.,  27  (15): [PMID:28587825] [10.1016/j.bmcl.2017.05.083]
39. Ngo QT, Cao TQ, Tran PL, Kim JA, Seo ST, Kim JC, Woo MH, Lee JH, Min BS..  (2018)  Lactones from the pericarps of Litsea japonica and their anti-inflammatory activities.,  28  (11): [PMID:29730029] [10.1016/j.bmcl.2018.04.023]
40. Figueiredo SAC, Salvador JAR, Cortés R, Cascante M..  (2017)  Design, synthesis and biological evaluation of novel C-29 carbamate celastrol derivatives as potent and selective cytotoxic compounds.,  139  [PMID:28865279] [10.1016/j.ejmech.2017.08.058]
41. Wang L, Li L, Zhou ZH, Jiang ZY, You QD, Xu XL..  (2017)  Structure-based virtual screening and optimization of modulators targeting Hsp90-Cdc37 interaction.,  136  [PMID:28482218] [10.1016/j.ejmech.2017.04.074]
42. Bodle CR, Mackie DI, Hayes MP, Schamp JH, Miller MR, Henry MD, Doorn JA, Houtman JCD, James MA, Roman DL..  (2017)  Natural Products Discovered in a High-Throughput Screen Identified as Inhibitors of RGS17 and as Cytostatic and Cytotoxic Agents for Lung and Prostate Cancer Cell Lines.,  80  (7): [PMID:28621943] [10.1021/acs.jnatprod.7b00112]
43. Figueiredo SAC, Salvador JAR, Cortés R, Cascante M..  (2017)  Novel celastrol derivatives with improved selectivity and enhanced antitumour activity: Design, synthesis and biological evaluation.,  138  [PMID:28688281] [10.1016/j.ejmech.2017.06.029]
44. Choi SK, Mun GI, Choi E, Kim SY, Kwon Y, Na Y, Lee YS..  (2017)  The Conjugated Double Bond of Coniferyl Aldehyde Is Essential for Heat Shock Factor 1 Mediated Cytotoprotection.,  80  (8): [PMID:28737916] [10.1021/acs.jnatprod.7b00126]
45. Liu N, Tu J, Dong G, Wang Y, Sheng C..  (2018)  Emerging New Targets for the Treatment of Resistant Fungal Infections.,  61  (13): [PMID:29294275] [10.1021/acs.jmedchem.7b01413]
46. Jin L, Huang R, Huang X, Zhang B, Ji M, Wang H..  (2018)  Discovery of 18β-glycyrrhetinic acid conjugated aminobenzothiazole derivatives as Hsp90-Cdc37 interaction disruptors that inhibit cell migration and reverse drug resistance.,  26  (8): [PMID:29486954] [10.1016/j.bmc.2018.02.021]
47. Salvador JAR, Leal AS, Valdeira AS, Gonçalves BMF, Alho DPS, Figueiredo SAC, Silvestre SM, Mendes VIS..  (2017)  Oleanane-, ursane-, and quinone methide friedelane-type triterpenoid derivatives: Recent advances in cancer treatment.,  142  [PMID:28754470] [10.1016/j.ejmech.2017.07.013]
48. 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 NCI Diversity Set V,  [10.6019/CHEMBL4296182]
49. Li N, Xu M, Bao N, Shi W, Li Q, Zhang X, Sun J, Chen L..  (2018)  Discovery of novel NO-releasing celastrol derivatives with Hsp90 inhibition and cytotoxic activities.,  160  [PMID:30316059] [10.1016/j.ejmech.2018.10.013]
50. Li X, Ding J, Li N, Liu W, Ding F, Zheng H, Ning Y, Wang H, Liu R, Ren S..  (2019)  Synthesis and biological evaluation of celastrol derivatives as anti-ovarian cancer stem cell agents.,  179  [PMID:31279299] [10.1016/j.ejmech.2019.06.086]
51. Kyriakou E, Schmidt S, Dodd GT, Pfuhlmann K, Simonds SE, Lenhart D, Geerlof A, Schriever SC, De Angelis M, Schramm KW, Plettenburg O, Cowley MA, Tiganis T, Tschöp MH, Pfluger PT, Sattler M, Messias AC..  (2018)  Celastrol Promotes Weight Loss in Diet-Induced Obesity by Inhibiting the Protein Tyrosine Phosphatases PTP1B and TCPTP in the Hypothalamus.,  61  (24): [PMID:30525586] [10.1021/acs.jmedchem.8b01224]
52. Li N, Xu M, Wang B, Shi Z, Zhao Z, Tang Y, Wang X, Sun J, Chen L..  (2019)  Discovery of Novel Celastrol Derivatives as Hsp90-Cdc37 Interaction Disruptors with Antitumor Activity.,  62  (23): [PMID:31725288] [10.1021/acs.jmedchem.9b01290]
53. Stevens M, Abdeen S, Salim N, Ray AM, Washburn A, Chitre S, Sivinski J, Park Y, Hoang QQ, Chapman E, Johnson SM..  (2019)  HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.,  29  (9): [PMID:30852084] [10.1016/j.bmcl.2019.02.028]
54. Xu M, Li N, Zhao Z, Shi Z, Sun J, Chen L..  (2019)  Design, synthesis and antitumor evaluation of novel celastrol derivatives.,  174  [PMID:31051401] [10.1016/j.ejmech.2019.04.050]
55. Chen Z, Zhang D, Yan S, Hu C, Huang Z, Li Z, Peng S, Li X, Zhu Y, Yu H, Lian B, Kang Q, Li M, Zeng Z, Zhang XK, Su Y..  (2019)  SAR study of celastrol analogs targeting Nur77-mediated inflammatory pathway.,  177  [PMID:31132532] [10.1016/j.ejmech.2019.05.009]
56. Li L, Wang L, You QD, Xu XL..  (2020)  Heat Shock Protein 90 Inhibitors: An Update on Achievements, Challenges, and Future Directions.,  63  (5): [PMID:31663736] [10.1021/acs.jmedchem.9b00940]
57.  (2016)  Therapeutic compounds and methods, 
58.  (2018)  INHIBITORS OF SARM1 NADase ACTIVITY AND USES THEREOF, 
59. He QW,Feng JH,Hu XL,Long H,Huang XF,Jiang ZZ,Zhang XQ,Ye WC,Wang H.  (2020)  Synthesis and Biological Evaluation of Celastrol Derivatives as Potential Immunosuppressive Agents.,  83  (9.0): [PMID:32822186] [10.1021/acs.jnatprod.0c00067]
60. Li B,Yao J,Guo K,He F,Chen K,Lin Z,Liu S,Huang J,Wu Q,Fang M,Zeng J,Wu Z.  (2020)  Design, synthesis, and biological evaluation of 5-((8-methoxy-2-methylquinolin-4-yl)amino)-1H-indole-2-carbohydrazide derivatives as novel Nur77 modulators.,  204  [PMID:32717483] [10.1016/j.ejmech.2020.112608]
61. Capochiani de Iudicibus R, Tomek P, Palmer BD, Tijono SM, Flanagan JU, Ching LM..  (2021)  Parallel discovery of selective and dual inhibitors of tryptophan dioxygenases IDO1 and TDO2 with a newly-modified enzymatic assay.,  39  [PMID:33901770] [10.1016/j.bmc.2021.116160]
62. Linciano P, Cavalloro V, Martino E, Kirchmair J, Listro R, Rossi D, Collina S..  (2020)  Tackling Antimicrobial Resistance with Small Molecules Targeting LsrK: Challenges and Opportunities.,  63  (24.0): [PMID:33152241] [10.1021/acs.jmedchem.0c01282]
63. Shang FF, Wang JY, Xu Q, Deng H, Guo HY, Jin X, Li X, Shen QK, Quan ZS..  (2021)  Design, synthesis of novel celastrol derivatives and study on their antitumor growth through HIF-1α pathway.,  220  [PMID:33930802] [10.1016/j.ejmech.2021.113474]
64. Coghi P, Ng JPL, Kadioglu O, Law BYK, Qiu AC, Saeed MEM, Chen X, Ip CK, Efferth T, Liu L, Wong VKW..  (2021)  Synthesis, computational docking and biological evaluation of celastrol derivatives as dual inhibitors of SERCA and P-glycoprotein in cancer therapy.,  224  [PMID:34256125] [10.1016/j.ejmech.2021.113676]
65. Munoz-Tello P, Lin H, Khan P, de Vera IMS, Kamenecka TM, Kojetin DJ..  (2020)  Assessment of NR4A Ligands That Directly Bind and Modulate the Orphan Nuclear Receptor Nurr1.,  63  (24.0): [PMID:33289551] [10.1021/acs.jmedchem.0c00894]
66. Feng Y, Wang W, Zhang Y, Fu X, Ping K, Zhao J, Lei Y, Mou Y, Wang S..  (2022)  Synthesis and biological evaluation of celastrol derivatives as potential anti-glioma agents by activating RIP1/RIP3/MLKL pathway to induce necroptosis.,  229  [PMID:34968902] [10.1016/j.ejmech.2021.114070]
67. Zhao J, Xiao R, Zeng R, He E, Zhang A..  (2022)  Small molecules targeting cGAS-STING pathway for autoimmune disease.,  238  [PMID:35635952] [10.1016/j.ejmech.2022.114480]
68. Song Y, Wang S, Zhao M, Yang X, Yu B..  (2022)  Strategies Targeting Protein Tyrosine Phosphatase SHP2 for Cancer Therapy.,  65  (4.0): [PMID:35157464] [10.1021/acs.jmedchem.1c02008]
69. Fu X, Mao Q, Zhang B, Lv J, Ping K, Zhang P, Lin F, Zhao J, Feng Y, Yang J, Wang H, Zhang L, Mou Y, Wang S..  (2022)  Thiazolidinedione-Based Structure Modification of Celastrol Provides Thiazolidinedione-Conjugated Derivatives as Potent Agents against Non-Small-Cell Lung Cancer Cells through a Mitochondria-Mediated Apoptotic Pathway.,  85  (4.0): [PMID:35255689] [10.1021/acs.jnatprod.2c00104]
70. Lei ZC, Li N, Yu NR, Ju W, Sun XN, Zhang XL, Dong HJ, Sun JB, Chen L..  (2022)  Design and Synthesis of Novel Celastrol Derivatives as Potential Anticancer Agents against Gastric Cancer Cells.,  85  (5.0): [PMID:35536757] [10.1021/acs.jnatprod.1c01236]
71. Chang YH, Hung HY..  (2022)  Recent advances in natural anti-obesity compounds and derivatives based on in vivo evidence: A mini-review.,  237  [PMID:35489224] [10.1016/j.ejmech.2022.114405]
72. Feng Y, Zhang B, Lv J, Zhang P, Mao Q, Lin F, Zhao J, Fu X, Yang Y, Li Z, Zhang L, Mou Y, Wang S..  (2022)  Scaffold hopping of celastrol provides derivatives containing pepper ring, pyrazine and oxazole substructures as potent autophagy inducers against breast cancer cell line MCF-7.,  234  [PMID:35290844] [10.1016/j.ejmech.2022.114254]
73. Hicks EG, Kandel SE, Lampe JN..  (2022)  Identification of Aloe-derived natural products as prospective lead scaffolds for SARS-CoV-2 main protease (Mpro) inhibitors.,  66  [PMID:35427739] [10.1016/j.bmcl.2022.128732]
74. Li N, Xu M, Zhang L, Lei Z, Chen C, Zhang T, Chen L, Sun J..  (2022)  Discovery of Novel Celastrol-Imidazole Derivatives with Anticancer Activity In Vitro and In Vivo.,  65  (6.0): [PMID:35238566] [10.1021/acs.jmedchem.1c01293]
75. Willems S, Zaienne D, Merk D..  (2021)  Targeting Nuclear Receptors in Neurodegeneration and Neuroinflammation.,  64  (14.0): [PMID:34251209] [10.1021/acs.jmedchem.1c00186]
76. Hu XL, He QW, Long H, Zhang LX, Wang R, Wang BL, Feng JH, Wang Q, Hou JQ, Zhang XQ, Ye WC, Wang H..  (2021)  Synthesis and Biological Evaluation of Celastrol Derivatives with Improved Cytotoxic Selectivity and Antitumor Activities.,  84  (7.0): [PMID:34170694] [10.1021/acs.jnatprod.1c00262]
77. Hou W, Liu B, Xu H..  (2020)  Celastrol: Progresses in structure-modifications, structure-activity relationships, pharmacology and toxicology.,  189  [PMID:31991334] [10.1016/j.ejmech.2020.112081]
78. Qin J, Chen X, Liu W, Chen J, Liu W, Xia Y, Li Z, Li M, Wang S, Yuan Q, Qiu Y, Wu Z, Fang M..  (2022)  Discovery of 5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)-1H-indole-2-carboxamide derivatives as novel anti-cancer agents targeting Nur77.,  244  [PMID:36274272] [10.1016/j.ejmech.2022.114849]
79. Kumar V, Islam A, Hassan MI, Ahmad F..  (2016)  Therapeutic progress in amyotrophic lateral sclerosis-beginning to learning.,  121  [PMID:27372371] [10.1016/j.ejmech.2016.06.017]