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
ChEBI ID
CHEMBL119625
CAS Number
210245-80-0
TTD ID
D0Z9CC
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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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.