Details of the Drug

General Information of Drug (ID: DMRHSG4)

Drug Name
ACEA-1416
Synonyms Glystatin series member (1416), 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) 255.61
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H6ClN3O4
IUPAC Name
7-chloro-6-methyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES
CC1=C(C=C2C(=C1[N+](=O)[O-])NC(=O)C(=O)N2)Cl
InChI
InChI=1S/C9H6ClN3O4/c1-3-4(10)2-5-6(7(3)13(16)17)12-9(15)8(14)11-5/h2H,1H3,(H,11,14)(H,12,15)
InChIKey
CODLITRXBIRDTG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9816526
ChEBI ID
CHEMBL297881
TTD ID
D03HDP
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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 800007961)
2 Tolerance develops to the antinociceptive and motor impairing effects of ACEA-1416, a NMDA receptor antagonist, in the formalin and rotarod test in mice. Pharmacol Res. 1998 Apr;37(4):295-302.