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]
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Therapeutic Class

Analgesics

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

235.2

Logarithm of the Partition Coefficient (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

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)

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 800007690)
2	Emerging analgesics in cancer pain management. Expert Opin Emerg Drugs. 2005 Feb;10(1):151-71.