PLX-4720   Click here for help

GtoPdb Ligand ID: 5703

Synonyms: PLX 4720
PDB Ligand
Compound class: Synthetic organic
Comment: PLX-4720 is a selective inhibitor of BRAF.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 100.3
Molecular weight 413.04
XLogP 4.45
No. Lipinski's rules broken 0
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Canonical SMILES CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F
Isomeric SMILES CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F
InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)

Large-scale screening data

DiscoveRx KINOMEscan® screen Click here for help
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
Reference: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
mitogen-activated protein kinase kinase 5 MEK5 Hs Inhibitor Inhibition 9.8 pKd
src-related kinase lacking C-terminal regulatory tyrosine and N-terminal myristylation sites SRMS Hs Inhibitor Inhibition 7.7 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D) Hs Inhibitor Inhibition 7.4 pKd
ZAK sterile alpha motif and leucine zipper containing kinase AZK ZAK Hs Inhibitor Inhibition 7.4 pKd
protein tyrosine kinase 6 BRK Hs Inhibitor Inhibition 7.3 pKd
FGR proto-oncogene, Src family tyrosine kinase FGR Hs Inhibitor Inhibition 7.2 pKd
B-Raf proto-oncogene, serine/threonine kinase BRAF(V600E) Hs Inhibitor Inhibition 7.0 pKd
Raf-1 proto-oncogene, serine/threonine kinase RAF1 Hs Inhibitor Inhibition 6.8 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT Hs Inhibitor Inhibition 6.7 pKd
mitogen-activated protein kinase kinase 4 MEK4 Hs Inhibitor Inhibition 6.7 pKd
Displaying the top 10 targets  View all targets in screen »