Details of the Drug

General Information of Drug (ID: DMOQJMU)

• Drug Name: Piperidinyl triazole derivative 4
• Synonyms: PMID28699813-Compound-14
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 460
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C26H26ClN5O
  IUPAC Name: 2-[4-[5-(4-chlorophenyl)-2-pyrimidin-2-ylpyrazol-3-yl]piperidin-1-yl]-1-phenylethanol
  Canonical SMILES: C1CN(CCC1C2=CC(=NN2C3=NC=CC=N3)C4=CC=C(C=C4)Cl)CC(C5=CC=CC=C5)O
  InChI: InChI=1S/C26H26ClN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2
  InChIKey: VSNXVFRRZXFFLD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54597177
  TTD ID: D07RIZ

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.