suzetrigine   Click here for help

GtoPdb Ligand ID: 12630

Synonyms: Compound 7 [WO2021113627A1] | VX-548 | VX548
Compound class: Synthetic organic
Comment: Suzetrigine (VX-548) is an oral, selective NaV1. 8 inhibitor, that is being investigated for analgesic potential. Its chemical structure is claimed in Vertex Pharmaceuticals' patent WO2021113627A1 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.01
Molecular weight 473.39
XLogP 1.21
No. Lipinski's rules broken 0
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Canonical SMILES C[C@H]1[C@@H](C2=CC=C(C(=C2OC)F)F)[C@H](C(=O)NC3=CC=NC(=C3)C(=O)N)O[C@@]1(C)C(F)(F)F
Isomeric SMILES COC1=C(F)C(F)=CC=C1[C@@H]2[C@H](C)[C@@](C)(O[C@H]2C(=O)NC3=CC(=NC=C3)C(N)=O)C(F)(F)F
InChI InChI=1S/C21H20F5N3O4/c1-9-14(11-4-5-12(22)15(23)16(11)32-3)17(33-20(9,2)21(24,25)26)19(31)29-10-6-7-28-13(8-10)18(27)30/h4-9,14,17H,1-3H3,(H2,27,30)(H,28,29,31)/t9-,14-,17+,20+/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
12500 suzetrigine
Synonyms Click here for help
Compound 7 [WO2021113627A1] | VX-548 | VX548
Database Links Click here for help
GtoPdb PubChem SID 479821420
PubChem CID 156445116
Search Google for chemical match using the InChIKey XSQUJFKRXZMOKA-PAFIKIDNSA-N
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UniChem Compound Search for chemical match using the InChIKey XSQUJFKRXZMOKA-PAFIKIDNSA-N
UniChem Connectivity Search for chemical match using the InChIKey XSQUJFKRXZMOKA-PAFIKIDNSA-N