Details of the Drug

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
• #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]

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.