zandatrigine   Click here for help

GtoPdb Ligand ID: 11734

Synonyms: NBI-921352 | NBI921352 | XEN-901 | XEN901
Compound class: Synthetic organic
Comment: Zandatrigine (NBI-921352) is reported as a NaV1.6 (SCN8A) selective sodium channel inhibitor that is proposed for antiepileptic activity [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 98.69
Molecular weight 460.59
XLogP 2.49
No. Lipinski's rules broken 0
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Canonical SMILES CC1=C(C=C(C(=C1)S(=O)(=O)NC2=CSC=N2)F)N(C)[C@H]3CCN(CC4=CC=CC=C4)C3
Isomeric SMILES CC1=CC(=C(C=C1N(C)[C@H]2CCN(C2)CC3=CC=CC=C3)F)S(=O)(=O)NC4=CSC=N4
InChI InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3/t18-/m0/s1
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
12252 zandatrigine
Synonyms Click here for help
NBI-921352 | NBI921352 | XEN-901 | XEN901
Database Links Click here for help
BindingDB Ligand 470680
CAS Registry No. 2154406-04-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL4650313
GtoPdb PubChem SID 458923769
PubChem CID 132141687
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