Details of the Drug

General Information of Drug (ID: DMI2T1D)

• Drug Name: Cyclohexyl-ethyl-substituted diaza and triaza-tricyclic compound 1
• Synonyms: PMID29473428-Compound-38
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 318.4
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H20F2N2O
  IUPAC Name: 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
  Canonical SMILES: C1CC(CCC1O)(CCC2C3=C(C=CC=C3F)C4=CN=CN24)F
  InChI: InChI=1S/C18H20F2N2O/c19-14-3-1-2-13-16-10-21-11-22(16)15(17(13)14)6-9-18(20)7-4-12(23)5-8-18/h1-3,10-12,15,23H,4-9H2
  InChIKey: AHMWQTITKYANIA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118917034
  TTD ID: D0CE7G

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.