Details of the Drug

General Information of Drug (ID: DM0R5U6)

• Drug Name: 2-(3-(benzyloxy)phenyl)isoindoline-1,3-dione
• Synonyms: CHEMBL205391; N-(3-BENZYLOXYPHENYL)PHTHALIMIDE; 2-(3-phenylmethoxyphenyl)isoindole-1,3-dione; 2-(3-(benzyloxy)phenyl)isoindoline-1,3-dione; AC1MO1I5; ZINC4826839; BDBM50181082; AKOS003508151

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 329.3
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H15NO3
  IUPAC Name: 2-(3-phenylmethoxyphenyl)isoindole-1,3-dione
  Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O
  InChI: InChI=1S/C21H15NO3/c23-20-18-11-4-5-12-19(18)21(24)22(20)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13H,14H2
  InChIKey: KEXVEOJPANROJT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3361967
  TTD ID: D0D2FB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

References

• [1] Arylmethoxypyridines as novel, potent and orally active mGlu5 receptor antagonists. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1892-7.