Details of the Drug

General Information of Drug (ID: DMRJKIQ)

• Drug Name: Imidazoleisoindoles derivative 2
• Synonyms: PMID29473428-Compound-37
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.4
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H25FN2O2
  IUPAC Name: 5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]adamantan-2-ol
  Canonical SMILES: C1C2CC3CC(C2)(CC1C3O)C(CC4C5=C(C=CC=C5F)C6=CN=CN46)O
  InChI: InChI=1S/C22H25FN2O2/c23-16-3-1-2-15-18-10-24-11-25(18)17(20(15)16)6-19(26)22-7-12-4-13(8-22)21(27)14(5-12)9-22/h1-3,10-14,17,19,21,26-27H,4-9H2
  InChIKey: SPKRAWSVCLOAAN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122498962
  TTD ID: D09TSM

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.