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
1. Aretz CD, Vadukoot AK, Hopkins CR. (2019)
Discovery of Small Molecule Renal Outer Medullary Potassium (ROMK) Channel Inhibitors: A Brief History of Medicinal Chemistry Approaches To Develop Novel Diuretic Therapeutics.
J Med Chem, 62 (19): 8682-8694. [PMID:31034224]
2. Pasternak A, Shahripour A, Tang H, Teumelsan NH, Yang L, Zhu Y, Walsh SP. (2010)
Inhibitors of the renal outer medullary potassium channel.
Patent number: WO2010129379A1. Assignee: Merck Sharp & Dohme Corp. Priority date: 06/05/2009. Publication date: 11/11/2010.
3. Tang H, Zhu Y, Teumelsan N, Walsh SP, Shahripour A, Priest BT, Swensen AM, Felix JP, Brochu RM, Bailey T et al.. (2016)
Discovery of MK-7145, an Oral Small Molecule ROMK Inhibitor for the Treatment of Hypertension and Heart Failure.
ACS Med Chem Lett, 7 (7): 697-701. [PMID:27437080]