Details of the Drug

General Information of Drug (ID: DM1JXKY)

• Drug Name: Imidazo isoindole derivative 1
• Synonyms: PMID29473428-Compound-35
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 413.5
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C25H24FN5
  IUPAC Name: (5S)-6-fluoro-5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
  Canonical SMILES: CN1C=C(C=N1)C2=CC=C(C=C2)N3CCC(CC3)[C@H]4C5=C(C=CC=C5F)C6=CN=CN46
  InChI: InChI=1S/C25H24FN5/c1-29-15-19(13-28-29)17-5-7-20(8-6-17)30-11-9-18(10-12-30)25-24-21(3-2-4-22(24)26)23-14-27-16-31(23)25/h2-8,13-16,18,25H,9-12H2,1H3/t25-/m0/s1
  InChIKey: UJGQDAMZVUNFBQ-VWLOTQADSA-N
• Cross-matching ID:
  PubChem CID: 122650373
  TTD ID: D0WR7B

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.