Details of the Drug

General Information of Drug (ID: DMWAYXP)

• Drug Name: Piperidinyl pyrazole derivative 1
• Synonyms: PMID28699813-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 443.5
  Logarithm of the Partition Coefficient (xlogp); 6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C28H27F2N3
  IUPAC Name: (3R,4R)-3-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine
  Canonical SMILES: C1CN(C[C@H]([C@@H]1C2=CC(=NN2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CCC5=CC=CC=C5
  InChI: InChI=1S/C28H27F2N3/c29-23-10-6-21(7-11-23)26-19-33(16-14-20-4-2-1-3-5-20)17-15-25(26)28-18-27(31-32-28)22-8-12-24(30)13-9-22/h1-13,18,25-26H,14-17,19H2,(H,31,32)/t25-,26+/m1/s1
  InChIKey: HJPVPXYGXWGSIG-FTJBHMTQSA-N
• Cross-matching ID:
  PubChem CID: 68206832
  TTD ID: D03ASG

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.