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
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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)
Bioactivity Comments
VX-702 is reported to have potential off-target effects via inhibition of the additional kinases, ACVR2β (activin A receptor, type IIB), NLK (nemo-like kinase), JNK2 (mitogen-activated protein kinase 9), JNK3 (mitogen-activated protein kinase 10) and PIK4Cβ.(phosphatidylinositol 4-kinase, catalytic, beta) [4].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase 14 Primary target of this compound Hs Inhibitor Inhibition 8.4 pKd - 4
pKd 8.4 (Kd 3.7x10-9 M) [4]
mitogen-activated protein kinase 11 Primary target of this compound Hs Inhibitor Inhibition 7.8 pKd - 4
pKd 7.8 (Kd 1.7x10-8 M) [4]