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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
example 2A [WO2010129379] | MK7145
Database Links Click here for help
BindingDB Ligand 155921
CAS Registry No. 1255204-84-2 (source: PubChem)
ChEMBL Ligand CHEMBL3696475
DrugBank Ligand DB11968
GtoPdb PubChem SID 384403661
PubChem CID 59568713
Search Google for chemical match using the InChIKey OCKGFTQIICXDQW-ZEQRLZLVSA-N
Search Google for chemicals with the same backbone OCKGFTQIICXDQW
UniChem Compound Search for chemical match using the InChIKey OCKGFTQIICXDQW-ZEQRLZLVSA-N
UniChem Connectivity Search for chemical match using the InChIKey OCKGFTQIICXDQW-ZEQRLZLVSA-N