eleclazine   Click here for help

GtoPdb Ligand ID: 8413

Synonyms: GS-6615 | GS6615
Compound class: Synthetic organic
Comment: Eleclazine is a sodium channel inhibitor, modulating cardiac late Na+ currents via the Nav1.5 (gene symbol SCN5A) channel. The compound is a dihydrobenzodiazepine type structure. Dihydrobenzodiazepine scaffolds are being developed as α-helix mimetics, with the potential to inhibit protein-protein interactions [1,3-5]. This chemical structure and its use is covered by patent US20150038489 [2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 64.55
Molecular weight 415.11
XLogP 3.89
No. Lipinski's rules broken 0
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Canonical SMILES O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1
Isomeric SMILES O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1
InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9978 eleclazine
Synonyms Click here for help
GS-6615 | GS6615
Database Links Click here for help
CAS Registry No. 1443211-72-0
GtoPdb PubChem SID 252166623
PubChem CID 71183216
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