vixotrigine   Click here for help

GtoPdb Ligand ID: 12645

Synonyms: BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | compound 20 [PMID: 32945812] | GSK1014802 [2] | raxatrigine (deleted INN)
PDB Ligand
Compound class: Synthetic organic
Comment: Vixotrigine (BIIB074) is a voltage-gated sodium channel (NaV) blocker [2] that is in development for analgesic potential in conditions of neuropathic pain [1]. It blocks peripheral and central nervous system NaV isoforms. Vixotrigine also has activity as a monoamine oxidase B (MAO-B) inhibitor (IC50 ~4 nM).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 64.35
Molecular weight 314.35
XLogP 0.68
No. Lipinski's rules broken 0
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Canonical SMILES C1=CC(=C(C=C1)F)COC2=CC=C(C=C2)[C@H]3CC[C@@H](C(=O)N)N3
Isomeric SMILES C1C[C@H](N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N
InChI InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
10287 vixotrigine
Synonyms Click here for help
BIIB-074 | BIIB074 | CNV-1014802 | CNV1014802 | compound 20 [PMID: 32945812] | GSK1014802 [2] | raxatrigine (deleted INN)
Database Links Click here for help
GtoPdb PubChem SID 483123193
PubChem CID 16046068
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