Details of the Drug

General Information of Drug (ID: DMH7PGC)

• Drug Name: Cyclopentane carboxamide derivative 1
• Synonyms: PMID28699813-Compound-20
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 575.5
  Logarithm of the Partition Coefficient (xlogp); 6.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C30H34Cl2F2N4O
  IUPAC Name: [4-[2-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-[(1R,2R,4S)-2-(2,4-difluorophenyl)-4-(dimethylamino)-4-methylcyclopentyl]methanone
  Canonical SMILES: CC1=NN(C(=C1)C2CCN(CC2)C(=O)[C@@H]3C[C@@](C[C@H]3C4=C(C=C(C=C4)F)F)(C)N(C)C)C5=CC(=C(C=C5)Cl)Cl
  InChI: InChI=1S/C30H34Cl2F2N4O/c1-18-13-28(38(35-18)21-6-8-25(31)26(32)15-21)19-9-11-37(12-10-19)29(39)24-17-30(2,36(3)4)16-23(24)22-7-5-20(33)14-27(22)34/h5-8,13-15,19,23-24H,9-12,16-17H2,1-4H3/t23-,24+,30-/m0/s1
  InChIKey: XMOICBGWKUUJPT-BBANNHEPSA-N
• Cross-matching ID:
  PubChem CID: 72837058
  TTD ID: D0L8VH

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.