methyl p-hydroxybenzoate   Click here for help

GtoPdb Ligand ID: 6273

Synonyms: methylparaben | nipagin
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 46.53
Molecular weight 152.05
XLogP 1.55
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)c1ccc(cc1)O
Isomeric SMILES COC(=O)c1ccc(cc1)O
InChI InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Mm Activator Activation 2.4 pEC50 - 1
pEC50 2.4 [1]
Voltage: -60.0 mV
Description: Patch clamp
Conditions: HEK293 cells expressing mouse TRPA1