Details of the Drug

General Information of Drug (ID: DMQ8EYV)

• Drug Name: PMID29473428-Compound-43
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 390.7
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H13BrClN3O
  IUPAC Name: 1-(4-bromo-2-chlorophenyl)-2-(4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
  Canonical SMILES: C1=CC(=C(C=C1Br)Cl)C(CC2C3=C(C=NC=C3)C4=CN=CN24)O
  InChI: InChI=1S/C17H13BrClN3O/c18-10-1-2-12(14(19)5-10)17(23)6-15-11-3-4-20-7-13(11)16-8-21-9-22(15)16/h1-5,7-9,15,17,23H,6H2
  InChIKey: FULOIPPDAZMZJS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121288667
  TTD ID: D07JFY

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.