Details of the Drug

General Information of Drug (ID: DMLZKNF)

• Drug Name: 5-hydroxy-2-phenylisoindoline-1,3-dione
• Synonyms: CHEMBL276030; 4-Hydroxy-N-phenylphthalimide; 3975-50-6; 5-hydroxy-2-phenylisoindoline-1,3-dione; 5-hydroxy-2-phenyl-isoindole-1,3-dione; SCHEMBL8615277; CTK1B3719; DTXSID80445430; HCUAWJNHCZEMJS-UHFFFAOYSA-N; ZINC26020837; BDBM50088673; 5-hydroxy-2-phenyl-1H-isoindole-1,3(2H)-dione; 1H-Isoindole-1,3(2H)-dione, 5-hydroxy-2-phenyl-

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); 239.23
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H9NO3
  IUPAC Name: 5-hydroxy-2-phenylisoindole-1,3-dione
  Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)O
  InChI: InChI=1S/C14H9NO3/c16-10-6-7-11-12(8-10)14(18)15(13(11)17)9-4-2-1-3-5-9/h1-8,16H
  InChIKey: HCUAWJNHCZEMJS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10823890
  CAS Number: 3975-50-6
  TTD ID: D0X6LK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]

References

• [1] Estrogen receptor beta ligands: design and synthesis of new 2-phenyl-isoindole-1,3-diones. Bioorg Med Chem Lett. 2007 Jan 1;17(1):118-22.