Details of the Drug

General Information of Drug (ID: DMG068H)

Drug Name
KW-3635
Synonyms KW-3635; GTPL1977; KW3635
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 432.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C26H21N2NaO3
IUPAC Name
sodium;(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate
Canonical SMILES
CC1=CC2=C(C=C1C)N(C=N2)C/C=C/3\\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-].[Na+]
InChI
InChI=1S/C26H22N2O3.Na/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25;/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30);/q;+1/p-1/b21-9+;
InChIKey
KWELWDMCBFWKQN-CSFJJMQLSA-M
Cross-matching ID
PubChem CID
23673318
CAS Number
127166-41-0
TTD ID
D0H5KO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thromboxane A2 receptor (TBXA2R) TT2O84V TA2R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Thrombosis
ICD Disease Classification DB61-GB90
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thromboxane A2 receptor (TBXA2R) DTT TBXA2R 2.78E-04 -0.11 -0.31
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1977).
2 Antithrombotic effects of KW-3635, a thromboxane A2-receptor antagonist, in guinea pigs. Jpn J Pharmacol. 1994 Jun;65(2):93-8.