Details of the Drug

General Information of Drug (ID: DMLPWK3)

• Drug Name: US9434727, 40
• Synonyms: SCHEMBL17229884; CHEMBL3981399; BDBM249462; US9434727, 40
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 362.8
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H20ClFN4O
  IUPAC Name: [4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)methanone
  Canonical SMILES: C1CN(CCC1C2=C(C(=CC=C2)F)Cl)C(=O)C3=NNC4=C3CCNC4
  InChI: InChI=1S/C18H20ClFN4O/c19-16-12(2-1-3-14(16)20)11-5-8-24(9-6-11)18(25)17-13-4-7-21-10-15(13)22-23-17/h1-3,11,21H,4-10H2,(H,22,23)
  InChIKey: PJUXIWWOLCCJBG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118483372
  TTD ID: D05AIC

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. US9777010.