Details of the Drug

General Information of Drug (ID: DMYR350)

Drug Name

3-Hydroxy-6-methyl-1H-benzo[b]azepine-2,5-dione

Synonyms

3-Hydroxy-6-methyl-1H-1-benzazepine-2,5-dione; 1H-1-Benzazepine-2,5-dione, 3-hydroxy-6-methyl-; SCHEMBL8580170; CHEMBL143225; LPRUKTXSSXGABW-UHFFFAOYSA-N

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)

203.19

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H9NO3
IUPAC Name: 5-hydroxy-6-methyl-1H-1-benzazepine-2,3-dione
Canonical SMILES: CC1=C2C(=CC=C1)NC(=O)C(=O)C=C2O
InChI: InChI=1S/C11H9NO3/c1-6-3-2-4-7-10(6)8(13)5-9(14)11(15)12-7/h2-5,13H,1H3,(H,12,14,15)
InChIKey: SFRUZUUPMLUZHX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10655753
TTD ID: D0L4QC

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)

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.