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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.