Details of the Drug

General Information of Drug (ID: DM4QHZS)

Drug Name
BMS-986177
Synonyms
Milvexian; UNII-0W79NDQ608; Milvexian (USAN); Milvexian [USAN]; BMS 986177; JNJ-70033093; 1802425-99-5; CHEMBL4112929; SCHEMBL16982989; WHO 11401; D11802; (5R,9S)-9-(4-(5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)-6-oxopyrimidin-1(6H)-yl)-21-(difluoromethyl)-5-methyl-21H-3-aza-1(4,2)-pyridina-2(5,4)-pyrazolacyclonaphan-4-one; (9R,13S)-13-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxo-1,6-dihydropyrimidin-1-yl}-3-(difluoromethyl)-9-methyl-3,4,7,15-tetraazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one; 11,15-Metheno-15H-pyrazolo(4,3-b)(1,7)diazacyclotetradecin-5(6H)-one, 10-(4-(5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)-6-oxo-1(6H)-pyrimidinyl)-1-(difluoromethyl)-1,4,7,8,9,10-hexahydro-6-methyl-, (6R,10S)-2
Indication
Disease Entry ICD 11 Status REF
Cerebral ischemia 8B11 Phase 2 [1]
Ischemic stroke 8B11.5Z Phase 2 [2]
Thrombosis DB61-GB90 Phase 1 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 626.4
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C28H23Cl2F2N9O2
IUPAC Name
(9R,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-(difluoromethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
Canonical SMILES
C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl
InChI
InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
InChIKey
FSWFYCYPTDLKON-CMJOXMDJSA-N
Cross-matching ID
PubChem CID
118277544
ChEBI ID
CHEMBL4112929
CAS Number
1802425-99-5
UNII
0W79NDQ608
DrugBank ID
DB16233
TTD ID
DB6XD8
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
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Factor XI messenger RNA (F11 mRNA) TTDM4ZU FA11_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cerebral ischemia
ICD Disease Classification 8B11
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Factor XI messenger RNA (F11 mRNA) DTT F11 8.24E-01 -3.39E-03 -0.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03766581) A Study on BMS-986177 for the Prevention of a Stroke in Patients Receiving Aspirin and Clopidogrel (AXIOMATIC-SSP). U.S. National Institutes of Health.
2 ClinicalTrials.gov (NCT03766581) A Study on BMS-986177 for the Prevention of a Stroke in Patients Receiving Aspirin and Clopidogrel (AXIOMATIC-SSP). U.S. National Institutes of Health.
3 ClinicalTrials.gov (NCT03224260) To Evaluate the Safety and Pharmacokinetics of BMS-986177 in Healthy Japanese Participants. U.S. National Institutes of Health.
4 Discovery methods of coagulation-inhibiting drugs. Expert Opin Drug Discov. 2017 Dec;12(12):1195-1205.