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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL276030
CAS Number
3975-50-6
TTD ID
D0X6LK
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.