Details of the Drug

General Information of Drug (ID: DM9HQXC)

• Drug Name: US9434727, 63
• Synonyms: CHEMBL3892353; SCHEMBL17223067; BDBM249464; US9434727, 63
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 438.4
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H22F4N4O2
  IUPAC Name: 1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
  Canonical SMILES: CC(=O)N1CCC2=C(C1)NN=C2C(=O)N3CCC(CC3)C4=C(C(=CC=C4)F)C(F)(F)F
  InChI: InChI=1S/C21H22F4N4O2/c1-12(30)29-10-7-15-17(11-29)26-27-19(15)20(31)28-8-5-13(6-9-28)14-3-2-4-16(22)18(14)21(23,24)25/h2-4,13H,5-11H2,1H3,(H,26,27)
  InChIKey: VICXOPXLVAUSNR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118483546
  TTD ID: D0YU9U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasma retinol-binding protein (RBP4)	TT0C8BY	RET4_HUMAN	Inhibitor	[1]

References

• [1] Substituted 4-phenylpiperidines, their preparation and use. US9434727.