Details of the Drug

General Information of Drug (ID: DM8PZ46)

• Drug Name: PMID29473428-Compound-76
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 342.4
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C17H14N2O4S
  IUPAC Name: N-isoquinolin-5-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
  Canonical SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC4=C3C=CN=C4
  InChI: InChI=1S/C17H14N2O4S/c20-24(21,13-4-5-16-17(10-13)23-9-8-22-16)19-15-3-1-2-12-11-18-7-6-14(12)15/h1-7,10-11,19H,8-9H2
  InChIKey: QYTGSNGNCQHITP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121325256
  TTD ID: D0F4MN

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]
Tryptophan 2,3-dioxygenase (TDO)	TTXNCBV	T23O_HUMAN	Inhibitor	[1]

References

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