Details of the Drug

General Information of Drug (ID: DMY8W0K)

Drug Name

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

Synonyms

1H-1-Benzazepine-2,5-dione, 8-ethyl-3-hydroxy-; SCHEMBL9389409; CHEMBL143292; 183663-81-2

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)

217.22

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H11NO3
IUPAC Name: 8-ethyl-5-hydroxy-1H-1-benzazepine-2,3-dione
Canonical SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)C(=O)N2)O
InChI: InChI=1S/C12H11NO3/c1-2-7-3-4-8-9(5-7)13-12(16)11(15)6-10(8)14/h3-6,14H,2H2,1H3,(H,13,15,16)
InChIKey: FPLGJFSMGRDPES-UHFFFAOYSA-N

Cross-matching ID

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)

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.