icilin   Click here for help

GtoPdb Ligand ID: 2429

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 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 95.71
Molecular weight 311.09
XLogP 2.73
No. Lipinski's rules broken 0
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Canonical SMILES O=C1NC(=CCN1c1ccccc1O)c1cccc(c1)[N+](=O)[O-]
Isomeric SMILES O=C1NC(=CCN1c1ccccc1O)c1cccc(c1)[N+](=O)[O-]
InChI InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Mm Activator Agonist - - 1x10-4 6
Conc range: 1x10-4 M non-covalent [6]
Voltage: Physiological
TRPM8 Mm Activator Agonist 6.7 – 6.9 pEC50 - 1-2
pEC50 6.7 – 6.9 (EC50 1.99x10-7 – 1.25x10-7 M) [1-2]
Voltage: Physiological
TRPM8 Rn Activator Full agonist 6.4 pEC50 - 3-5
pEC50 6.4 Icilin activation is Ca2+-dependent. [3-5]
Voltage: Physiological
Description: Whole-cell voltage-clamp recordings or Ca2+-microfluorimetry in heterologous cells (HEK, CHO, and Xenopus oocytes) expressing TRPM8.
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Target Comment
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