N-acetyl-4-benzoquinoneimine   Click here for help

GtoPdb Ligand ID: 6299

Synonyms: N-acetyl-p-benzo-quinoneimine | napqi
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 46.5
Molecular weight 149.05
XLogP 0.09
No. Lipinski's rules broken 0
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Canonical SMILES O=C1C=CC(=NC(=O)C)C=C1
Isomeric SMILES O=C1C=CC(=NC(=O)C)C=C1
InChI InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Rn Activator Activation 5.6 pEC50 - 1-2
pEC50 5.6 This compound has similar activity at human and mouse TRPA1 [1-2]
Description: Calcium imaging
Conditions: CHO or HEK293 cells expressing rat/mouse/human TRPA1 loaded with Fura-2