Details of the Drug

General Information of Drug (ID: DM0J2TE)

• Drug Name: Piperidinyl triazole derivative 3
• Synonyms: PMID28699813-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 471.5
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C27H26FN5O2
  IUPAC Name: 3-[4-[5-(4-fluorophenyl)-2-pyrimidin-2-ylpyrazol-3-yl]piperidin-1-yl]-2-phenylpropanoic acid
  Canonical SMILES: C1CN(CCC1C2=CC(=NN2C3=NC=CC=N3)C4=CC=C(C=C4)F)CC(C5=CC=CC=C5)C(=O)O
  InChI: InChI=1S/C27H26FN5O2/c28-22-9-7-20(8-10-22)24-17-25(33(31-24)27-29-13-4-14-30-27)21-11-15-32(16-12-21)18-23(26(34)35)19-5-2-1-3-6-19/h1-10,13-14,17,21,23H,11-12,15-16,18H2,(H,34,35)
  InChIKey: ASWVEQWRTMUNCF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54597250
  TTD ID: D0NT8N

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.