Details of the Drug

General Information of Drug (ID: DM7UMW2)

• Drug Name: Imidazoleisoindoles derivative 1
• Synonyms: PMID29473428-Compound-36
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 342.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H23FN2O2
  IUPAC Name: 4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]bicyclo[2.2.2]octan-1-ol
  Canonical SMILES: C1CC2(CCC1(CC2)C(CC3C4=C(C=CC=C4F)C5=CN=CN35)O)O
  InChI: InChI=1S/C20H23FN2O2/c21-14-3-1-2-13-16-11-22-12-23(16)15(18(13)14)10-17(24)19-4-7-20(25,8-5-19)9-6-19/h1-3,11-12,15,17,24-25H,4-10H2
  InChIKey: IUJILQYRZOXDQY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122628163
  TTD ID: D03PQB

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.