MK-8153   Click here for help

GtoPdb Ligand ID: 12780

Synonyms: compound 22e [PMID: 34038119] | MK8153
Compound class: Synthetic organic
Comment: MK-8153 is an inhibitor of the inwardly rectifying potassium channel ROMK (Kir1.1) that is expressed in the kidney [1]. It was developed as a diuretic for the treatment of hypertension and heart failure, as a back-up for the clinical candidate MK-7145.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 96.38
Molecular weight 440.49
XLogP -0.4
No. Lipinski's rules broken 0
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Canonical SMILES CC1=C2COC(=O)C2=CC=C1[C@H](CN3CCC4(CC3)CCN(C5=C(C)C(=O)OC5)C4=O)O
Isomeric SMILES O=C1OCC2=C1C=CC(=C2C)[C@@H](O)CN3CCC4(CCN(C=5COC(=O)C5C)C4=O)CC3
InChI InChI=1S/C24H28N2O6/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-8-5-24(6-9-25)7-10-26(23(24)30)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
compound 22e [PMID: 34038119] | MK8153
Database Links Click here for help
BindingDB Ligand 194954
ChEMBL Ligand CHEMBL3913475
GtoPdb PubChem SID 483123328
PubChem CID 72950074
Search Google for chemical match using the InChIKey KDAIMYGCILCZSH-FQEVSTJZSA-N
Search Google for chemicals with the same backbone KDAIMYGCILCZSH
UniChem Compound Search for chemical match using the InChIKey KDAIMYGCILCZSH-FQEVSTJZSA-N
UniChem Connectivity Search for chemical match using the InChIKey KDAIMYGCILCZSH-FQEVSTJZSA-N