VU0810464   Click here for help

GtoPdb Ligand ID: 10260

Synonyms: compound 8a [PMID: 28697302]
Compound class: Synthetic organic
Comment: GIRK (Kir) channel activator with enhanced selectivity for GIRK1/2 (Kir3.1/Kir3.2) channels [1]. It is more selective for neuronal Kir3 channels than ML297.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 46.92
Molecular weight 349.14
XLogP 4.66
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1cc(nn1C1CCCCC1)C)Cc1ccc(c(c1)Cl)F
Isomeric SMILES O=C(Nc1cc(nn1C1CCCCC1)C)Cc1ccc(c(c1)Cl)F
InChI InChI=1S/C18H21ClFN3O/c1-12-9-17(23(22-12)14-5-3-2-4-6-14)21-18(24)11-13-7-8-16(20)15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,24)
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Kir3.1 Hs Activator Activation 6.1 – 6.8 pEC50 - 1
pEC50 6.8 (EC50 1.65x10-7 M) [1]
Description: Activation of Kir pEC50 6.1 (EC50 7.2x10-7 M) [1]
Description: Activation of Kir3.1/3.4 (cardiac type) multimeric channels expressed in HEK-293 cells.