Details of the Drug

General Information of Drug (ID: DM9KVOD)

• Drug Name: PMID29473428-Compound-4
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 295.33
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C13H14FN3O2S
  IUPAC Name: 4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide
  Canonical SMILES: C1CN(CC=C1C2=CNC3=C2C=CC(=C3)F)S(=O)(=O)N
  InChI: InChI=1S/C13H14FN3O2S/c14-10-1-2-11-12(8-16-13(11)7-10)9-3-5-17(6-4-9)20(15,18)19/h1-3,7-8,16H,4-6H2,(H2,15,18,19)
  InChIKey: JQVNNQIVDXRAAV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71941441
  TTD ID: D09FPV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Not Available	[1]

References

• [1] A patent review of IDO1 inhibitors for cancer.Expert Opin Ther Pat. 2018 Apr;28(4):317-330.