General Information of Drug (ID: DMTKDIP)

Drug Name
BMS-986141
Synonyms
UNII-W530IRZ40G; W530IRZ40G; UDM-003183; 1478711-48-6; 4-(4-(((6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)thiazol-2-yl)-N,N-dimethylbenzamide; CHEMBL3716552; SCHEMBL15348940; BDBM176003; DB14942; US9688695, 36; 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide; Benzamide, 4-(4-(((6-methoxy-2-(2-methoxyimidazo(2,1-b)-1,3,4-thiadiazol-6-yl)-4-benzofuranyl)oxy)methyl)-2-thiazolyl)-N,N-dimethyl-
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 561.6
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C27H23N5O5S2
IUPAC Name
4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
Canonical SMILES
CN(C)C(=O)C1=CC=C(C=C1)C2=NC(=CS2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC
InChI
InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3
InChIKey
KEEBLYWBELVGPQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72188743
CAS Number
1478711-48-6
DrugBank ID
DB14942
TTD ID
D3AIE0

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostate apoptosis response-4 (PAWR) TT3I4WV PAWR_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02671461) Safety and Efficacy Study of a Protease Activated Receptor-4 Antagonist Being Tested to Reduce the Chances of Having Additional Strokes or Mini Strokes. U.S. National Institutes of Health.
2 Protease activated receptor 4 (PAR4) antagonists: Research progress on small molecules in the field of antiplatelet agents. Eur J Med Chem. 2021 Jan 1;209:112893.