VX-702   Click here for help

GtoPdb Ligand ID: 6059

Synonyms: I14-1965 | VX 702 | VX702
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: VX-702 is a third generation Investigational oral p38 MAP kinase Inhibitor [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 2
Rotatable bonds 5
Topological polar surface area 102.31
Molecular weight 404.09
XLogP 3.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N
Isomeric SMILES Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N
InChI InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
InChI Key FYSRKRZDBHOFAY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(2,4-difluorophenyl)-6-[1-(2,6-difluorophenyl)carbamoylamino]pyridine-3-carboxamide
Synonyms Click here for help
I14-1965 | VX 702 | VX702
Database Links Click here for help
CAS Registry No. 479543-46-9
ChEMBL Ligand CHEMBL1090090
GtoPdb PubChem SID 178102680
PubChem CID 10341154
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Tocris
VX 702
Cat. No. 3916