MK-7145   Click here for help

GtoPdb Ligand ID: 10382

Synonyms: example 2A [WO2010129379] | MK7145
Compound class: Synthetic organic
Comment: MK-7145 is a Kir1.1 (ROMK) inhibitor that was designed as a novel diuretic [3]. The chemical structure is claimed as example 2A in patent WO2010129379 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 99.54
Molecular weight 466.21
XLogP 2.04
No. Lipinski's rules broken 0
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Canonical SMILES OC(c1ccc2c(c1C)COC2=O)CN1CCN(CC1)CC(c1ccc2c(c1C)COC2=O)O
Isomeric SMILES O[C@H](c1ccc2c(c1C)COC2=O)CN1CCN(CC1)C[C@@H](c1ccc2c(c1C)COC2=O)O
InChI InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1
Bioactivity Comments
IC50s for MK-7145 vs. Kir2.3, Kir2.1, Kir4.1, Kir2.3, Kir7.1 and the cardiac ion channels Cav1.2, Nav1.5 are all >30 μM [3]. It inhibits SERT-mediated 3H-serotonin uptake with an IC50 of 2.4 μM.
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Kir1.1 Primary target of this compound Hs Channel blocker Inhibition 8.2 pIC50 - 3
pIC50 8.2 (IC50 6x10-9 M) [3]
Description: Measured using a Tl+ flux assay.
Kv11.1 Hs Channel blocker Inhibition 4.7 pIC50 - 3
pIC50 4.7 (IC50 2.2x10-5 M) [3]
Description: In a hERG electrophysiology assay.