Details of the Drug

General Information of Drug (ID: DMCWNVB)

Drug Name
ACEA-1031
Synonyms Glystatin 1000 series member (1031), ACEA; Glystatin 1000 series member (1031), CoCensys
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 364.93
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H3Br2N3O4
IUPAC Name
6,7-dibromo-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES
C1=C2C(=C(C(=C1Br)Br)[N+](=O)[O-])NC(=O)C(=O)N2
InChI
InChI=1S/C8H3Br2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKey
HPDZNXVZXICVSF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9799201
TTD ID
D09OTF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008256)
2 In vitro pharmacology of ACEA-1021 and ACEA-1031: systemically active quinoxalinediones with high affinity and selectivity for N-methyl-D-aspartate receptor glycine sites. Mol Pharmacol. 1995 Mar;47(3):568-81.