Details of the Drug

General Information of Drug (ID: DMTSX7J)

• Drug Name: Piperidinyl triazole derivative 1
• Synonyms: PMID28699813-Compound-11
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 444
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H26ClN5
  IUPAC Name: 2-[3-(4-chlorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine
  Canonical SMILES: C1CN(CCC1C2=CC(=NN2C3=NC=CC=N3)C4=CC=C(C=C4)Cl)CCC5=CC=CC=C5
  InChI: InChI=1S/C26H26ClN5/c27-23-9-7-21(8-10-23)24-19-25(32(30-24)26-28-14-4-15-29-26)22-12-17-31(18-13-22)16-11-20-5-2-1-3-6-20/h1-10,14-15,19,22H,11-13,16-18H2
  InChIKey: SVHYVLJAAMPZJM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 53497458
  TTD ID: D0K1GJ

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.