Details of the Drug

General Information of Drug (ID: DMBY7AZ)

Drug Name

ACEA-1011

Synonyms

Glystatin series member (1011), CoCensys

Indication

Disease Entry	ICD 11	Status	REF
Cerebral infarction	8B11.5Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

264.59

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C9H4ClF3N2O2
IUPAC Name: 5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES: C1=C(C=C(C2=C1NC(=O)C(=O)N2)Cl)C(F)(F)F
InChI: InChI=1S/C9H4ClF3N2O2/c10-4-1-3(9(11,12)13)2-5-6(4)15-8(17)7(16)14-5/h1-2H,(H,14,16)(H,15,17)
InChIKey: JDCKMCIQUXTYQI-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 800007916)
2	NMDA receptor antagonists, MK-801 and ACEA-1011, prevent the development of tonic pain following subcutaneous formalin. Brain Res. 1993 Jul 2;615(2):331-4.