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
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
PubChem CID
9816093
ChEBI ID
CHEMBL41460
TTD ID
D0O4JH
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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.