Details of the Drug

General Information of Drug (ID: DMZSOPU)

Drug Name
3-Hydroxy-1H-benzo[b]azepine-2,5-dione
Synonyms
3-hydroxy-1H-1-benzazepine-2,5-dione; CHEMBL91742; 1H-1-Benzazepine-2,5-dione, 3-hydroxy-; 52280-64-5; 3-Hydroxy-1H-benzo[b]azepine-2,5-dione; SCHEMBL2639080; CTK1E4553; DTXSID10618296; BDBM50054638; 5-hydroxy-1H-1-benzazepine-2,3-dione
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) 189.17
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H7NO3
IUPAC Name
5-hydroxy-1H-1-benzazepine-2,3-dione
Canonical SMILES
C1=CC=C2C(=C1)C(=CC(=O)C(=O)N2)O
InChI
InChI=1S/C10H7NO3/c12-8-5-9(13)10(14)11-7-4-2-1-3-6(7)8/h1-5,12H,(H,11,13,14)
InChIKey
LRWDJVXXZACNEV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21812299
CAS Number
52280-64-5
TTD ID
D0S5RV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Analogs of 3-hydroxy-1H-1-benzazepine-2,5-dione: structure-activity relationship at N-methyl-D-aspartate receptor glycine sites. J Med Chem. 1996 Nov 8;39(23):4643-53.