Details of the Drug

General Information of Drug (ID: DM9KVOD)

Drug Name
PMID29473428-Compound-4
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL5872720
TTD ID
D09FPV
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
Indoleamine 2,3-dioxygenase 1 (IDO1) TTZJYKH I23O1_HUMAN Not Available [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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