Details of the Drug

General Information of Drug (ID: DM4VNWX)

• Drug Name: Hexahydro quinoline derivative 1
• Synonyms: PMID29473428-Compound-77
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 346.4
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H22N2O3S
  IUPAC Name: 4-propan-2-yloxy-N-(5,6,7,8-tetrahydroisoquinolin-5-yl)benzenesulfonamide
  Canonical SMILES: CC(C)OC1=CC=C(C=C1)S(=O)(=O)NC2CCCC3=C2C=CN=C3
  InChI: InChI=1S/C18H22N2O3S/c1-13(2)23-15-6-8-16(9-7-15)24(21,22)20-18-5-3-4-14-12-19-11-10-17(14)18/h6-13,18,20H,3-5H2,1-2H3
  InChIKey: XINKWGLXVLWLIU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121325265
  TTD ID: D0DA8D

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	Inhibitor	[1]

References

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