Details of the Drug

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
ChEBI ID
CHEMBL3716552
CAS Number
1478711-48-6
UNII
W530IRZ40G
DrugBank ID
DB14942
TTD ID
D3AIE0
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.