MK-7145

Ligand id: 10382

Name: MK-7145

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one
Synonyms
example 2A [WO2010129379] | MK7145
Comments
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].
Database Links
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
Search UniChem for chemical match using the InChIKey OCKGFTQIICXDQW-ZEQRLZLVSA-N
Search UniChem for chemicals with the same backbone OCKGFTQIICXDQW