Details of the Drug

General Information of Drug (ID: DM4AOIR)

• Drug Name: PMID29473428-Compound-41
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 301.36
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H20FN3O
  IUPAC Name: 1-cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol
  Canonical SMILES: C1CCC(CC1)C(CC2C3=CC(=NC=C3C4=CN=CN24)F)O
  InChI: InChI=1S/C17H20FN3O/c18-17-6-12-13(8-20-17)15-9-19-10-21(15)14(12)7-16(22)11-4-2-1-3-5-11/h6,8-11,14,16,22H,1-5,7H2
  InChIKey: QUDWXPLDIKCCKW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118917121
  ChEBI ID: CHEMBL5188753
  TTD ID: D0V3KH

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	Antagonist	[1]

References

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