Details of the Drug

General Information of Drug (ID: DMYLFQR)

Drug Name
BMS-986120
Synonyms
1478712-37-6; UNII-WDT28B7071; WDT28B7071; 4-(4-(((6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)-5-methylthiazol-2-yl)morpholine; 4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine; 4-(4-(((6-Methoxy-2-(2-methoxyimidazo(2,1-b)(1,3,4)thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)-5-methylthiazol-2-yl)morpholine; CHEMBL3716726; SCHEMBL15348871; GTPL10269; BDBM176061; EX-A3977; BMS986120; HY-19837; CS-0016978; US9688695, 94; 2-methoxy-6-[6-methoxy-4-[[5-methyl-2-(4-morpholinyl)-4-thiazolyl]methoxy]-2-benzofuranyl]-imidazo[2,1-b]-1,3,4-thiadiazole; Imidazo(2,1-b)-1,3,4-thiadiazole, 2-methoxy-6-(6-methoxy-4-((5-methyl-2-(4-morpholinyl)-4-thiazolyl)methoxy)-2-benzofuranyl)
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 513.6
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C23H23N5O5S2
IUPAC Name
4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine
Canonical SMILES
CC1=C(N=C(S1)N2CCOCC2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC
InChI
InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3
InChIKey
MINMDCMSHDBHKG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72190270
ChEBI ID
CHEMBL3716726
CAS Number
1478712-37-6
TTD ID
DUM25X
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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 (NCT02439190) CV004-007 Thrombosis Chamber Study. U.S. National Institutes of Health.
2 PAR4 (Protease-Activated Receptor 4) Antagonism With BMS-986120 Inhibits Human Ex Vivo Thrombus Formation. Arterioscler Thromb Vasc Biol. 2018 Feb;38(2):448-456.