Details of the Drug

General Information of Drug (ID: DMIT0H3)

• Drug Name: US9434727, 120
• Synonyms: SCHEMBL17222950; CHEMBL3890586; BDBM249522; US9434727, 120
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 439.4
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C20H18F5N5O
  IUPAC Name: 3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carbonitrile
  Canonical SMILES: C1CN(CCC1C2=C(C(=C(C=C2)F)F)C(F)(F)F)C(=O)C3=NNC4=C3CCN(C4)C#N
  InChI: InChI=1S/C20H18F5N5O/c21-14-2-1-12(16(17(14)22)20(23,24)25)11-3-7-30(8-4-11)19(31)18-13-5-6-29(10-26)9-15(13)27-28-18/h1-2,11H,3-9H2,(H,27,28)
  InChIKey: TXJTYIKCTGYLBH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118483425
  TTD ID: D0K0IZ

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.