retigabine   Click here for help

GtoPdb Ligand ID: 2601

Synonyms: AWD-21360 | D-23129 | ezogabine | Potiga® | Trobalt® | WAY-143841
Approved drug PDB Ligand
retigabine is an approved drug (FDA and EMA (2011))
Compound class: Synthetic organic
Comment: Retigabine is unique among antiepileptic drugs in that it functions by activating selected voltage-gated potassium channels in the brain (i.e. Kv7 family channels) [3] [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 76.38
Molecular weight 303.14
XLogP 2.57
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)Nc1ccc(cc1N)NCc1ccc(cc1)F
Isomeric SMILES CCOC(=O)Nc1ccc(cc1N)NCc1ccc(cc1)F
InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChI Key PCOBBVZJEWWZFR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2011))
Withdrawn drug? Yes
IUPAC Name Click here for help
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
International Nonproprietary Names Click here for help
INN number INN
7545 retigabine
Synonyms Click here for help
AWD-21360 | D-23129 | ezogabine | Potiga® | Trobalt® | WAY-143841
Database Links Click here for help
BindingDB Ligand 50143558
CAS Registry No. 150812-12-7 (source: Scifinder)
ChEBI CHEBI:161945
ChEMBL Ligand CHEMBL41355
DrugBank Ligand DB04953
DrugCentral Ligand 4181
GtoPdb PubChem SID 135650896
PubChem CID 121892
RCSB PDB Ligand FBX
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Wikipedia Retigabine

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Tocris
Retigabine
Cat. No. 6233