DC-EBIO   Click here for help

GtoPdb Ligand ID: 2324

Synonyms: dichloro-EBIO
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 1
Rotatable bonds 1
Topological polar surface area 37.79
Molecular weight 230
XLogP 2.27
No. Lipinski's rules broken 0
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Canonical SMILES CCn1c(=O)[nH]c2c1cc(Cl)c(c2)Cl
Isomeric SMILES CCn1c(=O)[nH]c2c1cc(Cl)c(c2)Cl
InChI InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
KCa3.1 Hs Activator Agonist 6.1 pEC50 - 2
pEC50 6.1 [2]
Voltage: -100.0 mV
KCa2.3 Hs Activator Agonist 4.9 pEC50 - 3
pEC50 4.9 [3]
KCa2.2 Hs Activator Agonist 4.6 pEC50 - 1
pEC50 4.6 [1]