Details of the Drug

General Information of Drug (ID: DMJ9U0E)

• Drug Name: Azetidine derivative 5
• Synonyms: PMID29473428-Compound-32
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 373.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C23H23N3O2
  IUPAC Name: 1-[3-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]azetidin-1-yl]-2-phenylethanone
  Canonical SMILES: C1C(CN1C(=O)CC2=CC=CC=C2)C(CC3C4=CC=CC=C4C5=CN=CN35)O
  InChI: InChI=1S/C23H23N3O2/c27-22(17-13-25(14-17)23(28)10-16-6-2-1-3-7-16)11-20-18-8-4-5-9-19(18)21-12-24-15-26(20)21/h1-9,12,15,17,20,22,27H,10-11,13-14H2
  InChIKey: XCPKPBVNKDRBNO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 70874002
  ChEBI ID: CHEMBL6048188
  TTD ID: D0IY1Z

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.