methyl isocyanate   Click here for help

GtoPdb Ligand ID: 6290

Abbreviated name: MIC
Synonyms: isocyanatomethane | isocyanic acid | methyl carbonimide
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 0
Rotatable bonds 0
Topological polar surface area 29.43
Molecular weight 57.02
XLogP 1.72
No. Lipinski's rules broken 0
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Canonical SMILES CN=C=O
Isomeric SMILES CN=C=O
InChI InChI=1S/C2H3NO/c1-3-2-4/h1H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Hs Activator Activation 4.6 pEC50 - 1
pEC50 4.6 This compound also activates mouse TRPA1 [1]
Description: Calcium imaging
Conditions: HEK293 cells expressing human TRPA1 and mouse dorsal root ganglion neurons loaded with Fura-2