QNZ 46   Click here for help

GtoPdb Ligand ID: 7845

Synonyms: KB-275239
Compound class: Synthetic organic
Comment: QNZ 46 is a negative allosteric modulator of the GluN2C/D NMDA receptor inhibiting receptor function more potently when glutamate (but not glycine) is present [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 122.11
Molecular weight 444.12
XLogP 3.31
No. Lipinski's rules broken 0
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Canonical SMILES COC1=CC2C(=NC(=[N+](C2=O)c2ccc(cc2)C(=O)O)C=Cc2cccc(c2)[N+](=O)[O-])C=C1
Isomeric SMILES COC1=CC2C(=NC(=[N+](C2=O)c2ccc(cc2)C(=O)O)/C=C/c2cccc(c2)[N+](=O)[O-])C=C1
InChI InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14,20H,1H3/p+1/b12-5+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]benzoic acid
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Database Links Click here for help
CAS Registry No. 1237744-13-6
GtoPdb PubChem SID 223366175
PubChem CID 76850154
Search Google for chemical match using the InChIKey ZLXASDKCRPAANV-LFYBBSHMSA-O
Search Google for chemicals with the same backbone ZLXASDKCRPAANV
UniChem Compound Search for chemical match using the InChIKey ZLXASDKCRPAANV-LFYBBSHMSA-O
UniChem Connectivity Search for chemical match using the InChIKey ZLXASDKCRPAANV-LFYBBSHMSA-O