Details of the Drug

General Information of Drug (ID: DM70HZD)

Drug Name
Zonampanel
Synonyms
Zonampanel; Ym 872; 210245-80-0; YM-872; UNII-9X33544ILS; CHEMBL119625; 9X33544ILS; Zonampanel [USAN:INN]; YM872 anhydrous; Zonampanel anhydrous; YM 872 anhydrous; Zonampanel (INN/USAN); AC1L3WN2; SCHEMBL678832; DTXSID50175232; ZINC1891930; BDBM50133599; AKOS030257633; CS-6830; KB-81523; HY-15072; QC-11463; D09035; 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid; 7-(1H-Imidazol-1-yl)-6-nitro-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)acetic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 331.24
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C13H9N5O6
IUPAC Name
2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
Canonical SMILES
C1=CN(C=N1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H9N5O6/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22/h1-4,6H,5H2,(H,15,21)(H,19,20)
InChIKey
SPXYHZRWPRQLNS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
148200
CAS Number
210245-80-0
TTD ID
D0Z9CC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Inhibitor [1]
Glutamate receptor AMPA 1 (GRIA1) TTVPQTF GRIA1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 5.12E-02 -0.4 -0.21
Glutamate receptor AMPA 1 (GRIA1) DTT GRIA1 2.97E-01 -4.20E-03 -0.01
Glutamate receptor AMPA (GRIA) DTT NO-GeName 5.94E-02 -0.46 -0.15
Glutamate receptor AMPA (GRIA) DTT NO-GeName 8.64E-01 -0.52 -0.47
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and AMPA receptor antagonistic activity of a novel 7-imidazolyl-6-trifluoromethyl quinoxalinecarboxylic acid with a substituted phenyl gr... Bioorg Med Chem Lett. 2004 Oct 18;14(20):5107-11.