Details of the Drug

General Information of Drug (ID: DM842L6)

Drug Name

8-Chloro-3-hydroxy-1H-benzo[b]azepine-2,5-dione

Synonyms

CHEMBL93798; 8-Chloro-3-hydroxy-1H-benzo[b]azepine-2,5-dione; 1H-1-Benzazepine-2,5-dione, 8-chloro-3-hydroxy-; SCHEMBL7350621; PUWRZSGQAPPNEC-UHFFFAOYSA-N; BDBM50054631; 144066-23-9; 3-Hydroxy-8-chloro-1H-1-benzazepine-2,5-dione; 8-chloro-3-hydroxy-2,5-dihydro-1h-benzazepine-2,5-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)

223.61

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H6ClNO3
IUPAC Name: 8-chloro-5-hydroxy-1H-1-benzazepine-2,3-dione
Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=O)C(=O)C=C2O
InChI: InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-10(15)9(14)4-8(6)13/h1-4,13H,(H,12,14,15)
InChIKey: CPGVEVDFZYFBBP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9815930
TTD ID: D0V1PE

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.