ORM-10962   Click here for help

GtoPdb Ligand ID: 11161

Synonyms: ORM10962
Compound class: Synthetic organic
Comment: ORM-10962 is a selective inhibitor of the SCL8 (NCX) Na+/Ca2+ exchangers [1]. It blocks both inward and outward NCX currents. ORM-10962 has been used in vivo to demonstrate that NCX blockade may contribute to the prevention of delayed afterdepolarization-based arrhythmogenesis.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 83.92
Molecular weight 459.22
XLogP 3.52
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OC1CCN(CC1)CC(=O)Nc1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1
Isomeric SMILES OC1CCN(CC1)CC(=O)Nc1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1
InChI InChI=1S/C27H29N3O4/c31-22-12-14-30(15-13-22)18-26(32)29-21-7-11-27(28-17-21)33-23-8-10-25-20(16-23)6-9-24(34-25)19-4-2-1-3-5-19/h1-5,7-8,10-11,16-17,22,24,31H,6,9,12-15,18H2,(H,29,32)
1. Kohajda Z, Farkas-Morvay N, Jost N, Nagy N, Geramipour A, Horváth A, Varga RS, Hornyik T, Corici C, Acsai K et al.. (2016)
The Effect of a Novel Highly Selective Inhibitor of the Sodium/Calcium Exchanger (NCX) on Cardiac Arrhythmias in In Vitro and In Vivo Experiments.
PLoS ONE, 11 (11): e0166041. [PMID:27832106]