Details of the Drug

General Information of Drug (ID: DMCJG8Z)

• Drug Name: US9434727, 93
• Synonyms: SCHEMBL17222937; CHEMBL3890367; BDBM249495; US9434727, 93
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 510.4
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C22H22F8N4O
  IUPAC Name: [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
  Canonical SMILES: C1CN(CCC1C2=C(C(=C(C=C2)F)F)C(F)(F)F)C(=O)C3=NNC4=C3CN(CC4)CCC(F)(F)F
  InChI: InChI=1S/C22H22F8N4O/c23-15-2-1-13(17(18(15)24)22(28,29)30)12-3-8-34(9-4-12)20(35)19-14-11-33(10-6-21(25,26)27)7-5-16(14)31-32-19/h1-2,12H,3-11H2,(H,31,32)
  InChIKey: GUCHXVVEHJYGON-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118483410
  TTD ID: D02TPQ

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. US10072016.