Details of the Drug

General Information of Drug (ID: DMC812I)

• Drug Name: US9434727, 153
• Synonyms: SCHEMBL17223023; CHEMBL3892497; BDBM249555; US9434727, 153
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 488.4
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C22H22F6N4O2
  IUPAC Name: 1-[3-[4-[3,5-bis(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=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
  InChI: InChI=1S/C22H22F6N4O2/c1-12(33)32-7-4-17-18(11-32)29-30-19(17)20(34)31-5-2-13(3-6-31)14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h8-10,13H,2-7,11H2,1H3,(H,29,30)
  InChIKey: UYJQGBUMNGFPIF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118483501
  TTD ID: D04BAA

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.