Details of the Drug

General Information of Drug (ID: DMZA3FL)

• Drug Name: PMID29473428-Compound-33
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 282.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H22N2O
  IUPAC Name: 1-cyclohexyl-2-(4H-imidazo[1,5-a]indol-4-yl)ethanol
  Canonical SMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3N4C2=CN=C4)O
  InChI: InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2
  InChIKey: MENMLCRHDMAGQE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 78426054
  ChEBI ID: CHEMBL3747764
  TTD ID: D0S7BW

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.