Details of the Drug

General Information of Drug (ID: DM1MQ7J)

• Drug Name: US8710232, 8
• Synonyms: SCHEMBL5148920; CHEMBL3694268; BDBM120783; US8710232, 8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 315.37
  Logarithm of the Partition Coefficient (xlogp); -2.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C16H21N5O2
  IUPAC Name: 3-(6-aminopyridin-3-yl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid
  Canonical SMILES: C1CNCCC1N2C=C(N=C2)C(CC3=CN=C(C=C3)N)C(=O)O
  InChI: InChI=1S/C16H21N5O2/c17-15-2-1-11(8-19-15)7-13(16(22)23)14-9-21(10-20-14)12-3-5-18-6-4-12/h1-2,8-10,12-13,18H,3-7H2,(H2,17,19)(H,22,23)
  InChIKey: ZPMPWZIJWOLMHZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11500637
  TTD ID: D01OFO

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.