SKA-111   Click here for help

GtoPdb Ligand ID: 10554

Synonyms: SKA 111 | SKA111
Compound class: Synthetic organic
Comment: SKA-111 is a positive KCa channel gating modulator with selectivity for KCa3.1.
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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 0
Topological polar surface area 67.15
Molecular weight 214.06
XLogP 2.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1sc2c(n1)c1ccccc1c(c2)C
Isomeric SMILES Nc1sc2c(n1)c1ccccc1c(c2)C
InChI InChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)
InChI Key JQZQMZXXJFFVFE-UHFFFAOYSA-N
References
1. Coleman N, Brown BM, Oliván-Viguera A, Singh V, Olmstead MM, Valero MS, Köhler R, Wulff H. (2014)
New positive Ca2+-activated K+ channel gating modulators with selectivity for KCa3.1.
Mol Pharmacol, 86 (3): 342-57. [PMID:24958817]