YM-244769   

GtoPdb Ligand ID: 9484

Synonyms: YM244769
Compound class: Synthetic organic
Comment: YM-244769 is a novel potent Na+/Ca2+ exchange (NCX) inhibitor, with selectivity for NCX3 (SLC8A3) over the other SLC8 family exchangers [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 86.47
Molecular weight 443.16
XLogP 5.06
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Nc1cccc(c1)CNC(=O)c1ccc(nc1)Oc1ccc(cc1)OCc1cccc(c1)F
Isomeric SMILES Nc1cccc(c1)CNC(=O)c1ccc(nc1)Oc1ccc(cc1)OCc1cccc(c1)F
InChI InChI=1S/C26H22FN3O3/c27-21-5-1-4-19(13-21)17-32-23-8-10-24(11-9-23)33-25-12-7-20(16-29-25)26(31)30-15-18-3-2-6-22(28)14-18/h1-14,16H,15,17,28H2,(H,30,31)
InChI Key JZMLHJRKSJXARY-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(3-aminophenyl)methyl]-6-[4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide
Synonyms
YM244769
Database Links
GtoPdb PubChem SID 329968424
PubChem CID 244769
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