Details of the Drug

General Information of Drug (ID: DM21S5G)

• Drug Name: Piperidinyl pyrazole derivative 2
• Synonyms: PMID28699813-Compound-9
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 440.6
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C28H29FN4
  IUPAC Name: 2-[4-[5-(4-fluorophenyl)-2-methylpyrazol-3-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine
  Canonical SMILES: CN1C(=CC(=N1)C2=CC=C(C=C2)F)C3(CCN(CC3)CCC4=CC=CC=C4)C5=CC=CC=N5
  InChI: InChI=1S/C28H29FN4/c1-32-27(21-25(31-32)23-10-12-24(29)13-11-23)28(26-9-5-6-17-30-26)15-19-33(20-16-28)18-14-22-7-3-2-4-8-22/h2-13,17,21H,14-16,18-20H2,1H3
  InChIKey: KJFTYICXBUEONK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 54576061
  TTD ID: D0J3TN

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.