Details of the Drug

General Information of Drug (ID: DM2FZPE)

• Drug Name: Piperidinyl triazole derivative 2
• Synonyms: PMID28699813-Compound-12
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 485.6
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C28H28FN5O2
  IUPAC Name: methyl 3-[4-[5-(4-fluorophenyl)-2-pyrimidin-2-ylpyrazol-3-yl]piperidin-1-yl]-2-phenylpropanoate
  Canonical SMILES: COC(=O)C(CN1CCC(CC1)C2=CC(=NN2C3=NC=CC=N3)C4=CC=C(C=C4)F)C5=CC=CC=C5
  InChI: InChI=1S/C28H28FN5O2/c1-36-27(35)24(20-6-3-2-4-7-20)19-33-16-12-22(13-17-33)26-18-25(21-8-10-23(29)11-9-21)32-34(26)28-30-14-5-15-31-28/h2-11,14-15,18,22,24H,12-13,16-17,19H2,1H3
  InChIKey: SVWGQADPJAOQRT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 68212658
  TTD ID: D0S3AL

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.