Details of the Drug

General Information of Drug (ID: DMEH9OY)

Drug Name

ACEA-1328

Indication

Disease Entry	ICD 11	Status	REF
Cancer related pain	MG30	Terminated	[1]

Therapeutic Class

Analgesics

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

235.2

Topological Polar Surface Area (xlogp)

1

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H9N3O4
IUPAC Name: 6,7-dimethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Canonical SMILES: CC1=CC2=C(C(=C1C)[N+](=O)[O-])NC(=O)C(=O)N2
InChI: InChI=1S/C10H9N3O4/c1-4-3-6-7(8(5(4)2)13(16)17)12-10(15)9(14)11-6/h3H,1-2H3,(H,11,14)(H,12,15)
InChIKey: CYJRVSOLVYLORV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9816093
TTD ID: D0O4JH

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	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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5	Amphetamine inhibits the N-methyl-D-aspartate receptor-mediated responses by directly interacting with the receptor/channel complex. J Pharmacol Exp Ther. 2002 Mar;300(3):1008-16.
6	Ketamine modulates theta and gamma oscillations. J Cogn Neurosci. 2010 Jul;22(7):1452-64.
7	Molecular determinants of the anticonvulsant felbamate binding site in the N-methyl-D-aspartate receptor. J Med Chem. 2008 Mar 27;51(6):1534-45.
8	The NMDA receptor antagonist memantine as a symptomatological and neuroprotective treatment for Alzheimer's disease: preclinical evidence. Int J Geriatr Psychiatry. 2003 Sep;18(Suppl 1):S23-32.
9	Progress report on new antiepileptic drugs: a summary of the Ninth Eilat Conference (EILAT IX). Epilepsy Res. 2009 Jan;83(1):1-43.
10	Neuroprotective agents for the treatment of acute ischemic stroke. Curr Neurol Neurosci Rep. 2003 Jan;3(1):9-20.
11	Magnesium sulfate diminishes the effects of amide local anesthetics in rat sciatic-nerve block. Reg Anesth Pain Med. 2007 Jul-Aug;32(4):288-95.
12	Emerging drugs for acute ischemic stroke. Expert Opin Emerg Drugs. 2009 Mar;14(1):33-42.