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
  ChEBI ID: CHEMBL3890586
  TTD ID: D0K0IZ
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.