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
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
GtoPdb PubChem SID 434122221
PubChem CID 69016811
Search Google for chemical match using the InChIKey UPGUBLDTYLMRHO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UPGUBLDTYLMRHO
UniChem Compound Search for chemical match using the InChIKey UPGUBLDTYLMRHO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UPGUBLDTYLMRHO-UHFFFAOYSA-N