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]
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]
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.