Details of the Drug

General Information of Drug (ID: DMH2AYV)

• Drug Name: Proline amide derivative 1
• Synonyms: PMID28699813-Compound-21
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 379.6
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 13
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C22H41N3O2
  IUPAC Name: (2S)-N-dodecyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
  Canonical SMILES: CCCCCCCCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2
  InChI: InChI=1S/C22H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-24-21(26)20-15-13-18-25(20)22(27)19-14-12-17-23-19/h19-20,23H,2-18H2,1H3,(H,24,26)/t19-,20-/m0/s1
  InChIKey: VWPVALOPPKNSFP-PMACEKPBSA-N
• Cross-matching ID:
  PubChem CID: 57325416
  TTD ID: D0A6QI

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.