bromoacetone   Click here for help

GtoPdb Ligand ID: 6293

Synonyms: acetonyl bromide | martonite | monobromoacetone
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 135.95
XLogP 0.76
No. Lipinski's rules broken 0
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Canonical SMILES CC(=O)CBr
Isomeric SMILES CC(=O)CBr
InChI InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPA1 Hs Activator Activation 6.0 pEC50 - 1
pEC50 6.0 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-2dorsal root ganglion neurons