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]
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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

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]

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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.