1-(butyldichloro-{4}-tellanyl)-2-[(1R)-1-methoxyethyl]benzene

ID: ALA1684169

Chembl Id: CHEMBL1684169

PubChem CID: 53323862

Max Phase: Preclinical

Molecular Formula: C13H20Cl2OTe

Molecular Weight: 390.81

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCCC[Te](Cl)(Cl)c1ccccc1[C@@H](C)OC

Standard InChI:  InChI=1S/C13H20Cl2OTe/c1-4-5-10-17(14,15)13-9-7-6-8-12(13)11(2)16-3/h6-9,11H,4-5,10H2,1-3H3/t11-/m1/s1

Standard InChI Key:  LTHFOAIQCMDGKN-LLVKDONJSA-N

Associated Targets(Human)

CTSV Tchem Cathepsin L2 (273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSS Tchem Cathepsin S (3285 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-144 (176 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MeWo (235 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A2058 (690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-25 (55 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSL Tclin Cathepsin L (3852 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSB Tchem Cathepsin B (3822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

B16F10Nex2 (30 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NIH3T3 (5395 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: 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: 390.81Molecular Weight (Monoisotopic): 391.9953AlogP: #Rotatable Bonds:
Polar Surface Area: Molecular Species: HBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD:
Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:

References

1. Piovan L, Alves MF, Juliano L, Brömme D, Cunha RL, Andrade LH..  (2011)  Structure-activity relationships of hypervalent organochalcogenanes as inhibitors of cysteine cathepsins V and S.,  19  (6): [PMID:21345684] [10.1016/j.bmc.2011.01.054]
2. Piovan L, Milani P, Silva MS, Moraes PG, Demasi M, Andrade LH..  (2014)  20S proteasome as novel biological target for organochalcogenanes.,  73  [PMID:24463395] [10.1016/j.ejmech.2013.12.011]
3. Paschoalin T, Martens AA, Omori ÁT, Pereira FV, Juliano L, Travassos LR, Machado-Santelli GM, Cunha RLOR..  (2019)  Antitumor effect of chiral organotelluranes elicited in a murine melanoma model.,  27  (12): [PMID:30962115] [10.1016/j.bmc.2019.03.032]

Source