Details of the Drug

General Information of Drug (ID: DMK9P7S)

• Drug Name: Imidazole derivative 8
• Synonyms: PMID28699813-Compound-16
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 444
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H26ClN5
  IUPAC Name: 2-[2-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-4-yl]pyrimidine
  Canonical SMILES: C1CN(CCC1C2=C(N=C(N2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4)CCC5=CC=CC=C5
  InChI: InChI=1S/C26H26ClN5/c27-22-9-7-21(8-10-22)25-30-23(24(31-25)26-28-14-4-15-29-26)20-12-17-32(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2,(H,30,31)
  InChIKey: CQQKTUASFMHQMA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54670731
  TTD ID: D0L6CM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prolylcarboxypeptidase (PRCP)	TTTJZ4M	PCP_HUMAN	Inhibitor	[1]

References

• [1] Prolylcarboxypeptidase (PrCP) inhibitors and the therapeutic uses thereof: a patent review.Expert Opin Ther Pat. 2017 Oct;27(10):1077-1088.