GSK417651A   Click here for help

GtoPdb Ligand ID: 10279

Synonyms: compound 3 [PMID: 23886683]
Compound class: Synthetic organic
Comment: GSK417651A acts as a TRPC3/6 ion channel blocker [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 82.7
Molecular weight 365.12
XLogP 3.15
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2
Isomeric SMILES COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2
InChI InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)
1. Washburn DG, Holt DA, Dodson J, McAtee JJ, Terrell LR, Barton L, Manns S, Waszkiewicz A, Pritchard C, Gillie DJ et al.. (2013)
The discovery of potent blockers of the canonical transient receptor channels, TRPC3 and TRPC6, based on an anilino-thiazole pharmacophore.
Bioorg Med Chem Lett, 23 (17): 4979-84. [PMID:23886683]
2. Xu X, Lozinskaya I, Costell M, Lin Z, Ball JA, Bernard R, Behm DJ, Marino JP, Schnackenberg CG. (2013)
Characterization of Small Molecule TRPC3 and TRPC6 agonist and Antagonists.
Biophys J, 104 (2): 454a Meeting abstract. DOI: 10.1016/j.bpj.2012.11.2513