Details of the Drug

General Information of Drug (ID: DMJ8YZK)

• Drug Name: Monofluorine derivative 1
• Synonyms: PMID29473428-Compound-40
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 336.4
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H19F3N2O
  IUPAC Name: 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
  Canonical SMILES: C1CC(CCC1C(CC2C3=C(C=CC=C3F)C4=CN=CN24)(F)F)O
  InChI: InChI=1S/C18H19F3N2O/c19-14-3-1-2-13-16-9-22-10-23(16)15(17(13)14)8-18(20,21)11-4-6-12(24)7-5-11/h1-3,9-12,15,24H,4-8H2
  InChIKey: UNSORNINUVZBRF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118917109
  TTD ID: D01NST

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.