Details of the Drug

General Information of Drug (ID: DM7BRPI)

• Drug Name: PMID29473428-Compound-34
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 262.3
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H14N2O
  IUPAC Name: 4-(2-methylphenoxy)-4H-imidazo[1,5-a]indole
  Canonical SMILES: CC1=CC=CC=C1OC2C3=CC=CC=C3N4C2=CN=C4
  InChI: InChI=1S/C17H14N2O/c1-12-6-2-5-9-16(12)20-17-13-7-3-4-8-14(13)19-11-18-10-15(17)19/h2-11,17H,1H3
  InChIKey: OZIYVKPSWZBCSG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121254849
  TTD ID: D0IS1M

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.