Details of the Drug

General Information of Drug (ID: DMCNAM9)

• Drug Name: US8710232, 1
• Synonyms: SCHEMBL4942017; CHEMBL3694266; BDBM120781; US8710232, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 314.4
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H22N4O2
  IUPAC Name: 3-(6-aminopyridin-3-yl)-2-(1-cyclohexylimidazol-4-yl)propanoic acid
  Canonical SMILES: C1CCC(CC1)N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O
  InChI: InChI=1S/C17H22N4O2/c18-16-7-6-12(9-19-16)8-14(17(22)23)15-10-21(11-20-15)13-4-2-1-3-5-13/h6-7,9-11,13-14H,1-5,8H2,(H2,18,19)(H,22,23)
  InChIKey: XHKJBNCTUYFLDC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11702405
  TTD ID: D01XTB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carboxypeptidase B1 (CPB1)	TT4UJX5	CBPB1_HUMAN	Inhibitor	[1]

References

• [1] Imidazole derivatives used as TAFIa inhibitors. US8710232.