General Information of Drug (ID: DM7HKIF)

Drug Name
3-Hydroxy-8-methyl-1H-benzo[b]azepine-2,5-dione
Synonyms
144040-48-2; 2,5-Dihydro-2,5-dioxo-3-hydroxy-8-methyl-1H-benzazepine; 8-Me-Ddhb; AC1L2QYL; 5-hydroxy-8-methyl-1H-1-benzazepine-2,3-dione; 1H-1-Benzazepine-2,5-dione, 3-hydroxy-8-methyl-; CHEMBL143519; SCHEMBL9387738; CTK4C3913; 8-Methyl-3-hydroxy-1H-1-benzazepine-2,5-dione; 1H-1-Benzaepine-2,5-dione, 3-hydroxy-8-methyl-
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-8-methyl-1H-1-benzazepine-2,3-dione
Canonical SMILES
CC1=CC2=C(C=C1)C(=CC(=O)C(=O)N2)O
InChI
InChI=1S/C11H9NO3/c1-6-2-3-7-8(4-6)12-11(15)10(14)5-9(7)13/h2-5,13H,1H3,(H,12,14,15)
InChIKey
HJKATLKAMYKFOH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
126810
CAS Number
144040-48-2
TTD ID
D01XWL

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.