relutrigine   Click here for help

GtoPdb Ligand ID: 12643

Synonyms: PRAX-562 | PRAX562
Compound class: Synthetic organic
Comment: Relutrigine (PRAX-562) is an orally active, clinical stage Nav1.8 channel inhibitor [1]. It has demonstrated anticonvulsant activity in preclinical evaluations.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 71.14
Molecular weight 407.27
XLogP 3.58
No. Lipinski's rules broken 0
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Canonical SMILES CCOC(C1=NN=C2C=NC(=CN21)C3=CN=C(C(=C3)F)OCC(F)(F)F)(F)F
Isomeric SMILES CCOC(C1=NN=C2N1C=C(N=C2)C3=CC(=C(N=C3)OCC(F)(F)F)F)(F)F
InChI InChI=1S/C15H11F6N5O2/c1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19/h3-6H,2,7H2,1H3
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
9628 relugolix
Synonyms Click here for help
PRAX-562 | PRAX562
Database Links Click here for help
GtoPdb PubChem SID 483123191
PubChem CID 147075611
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