SU-14813   

GtoPdb Ligand ID: 5712

Synonyms: SU014813 | SU14813
Compound class: Synthetic organic
Comment: SU-14813 is an oral, multitargeted receptor tyrosine kinase inhibitor targeting VEGFRs, PDGFRs, KIT, and FLT3 [2-3].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 103.26
Molecular weight 442.2
XLogP -0.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)C=C1C(=O)Nc2c1cc(F)cc2)C
Isomeric SMILES O[C@H](CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)/C=C/1\C(=O)Nc2c1cc(F)cc2)C
InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,21,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-,21?/m0/s1
InChI Key XWPFYHDOZULRTD-ROUJOJKSSA-N

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D,V654A) Hs Inhibitor Inhibition 9.6 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(L576P) Hs Inhibitor Inhibition 9.5 pKd
platelet derived growth factor receptor beta PDGFRB Hs Inhibitor Inhibition 9.5 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D) Hs Inhibitor Inhibition 9.3 pKd
fms related receptor tyrosine kinase 3 FLT3 Hs Inhibitor Inhibition 9.3 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D,T670I) Hs Inhibitor Inhibition 9.3 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT Hs Inhibitor Inhibition 9.2 pKd
fms related receptor tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 9.1 pKd
platelet derived growth factor receptor alpha PDGFRA Hs Inhibitor Inhibition 9.0 pKd
fms related receptor tyrosine kinase 3 FLT3(ITD) Hs Inhibitor Inhibition 8.7 pKd
Displaying the top 10 targets  View all targets in screen »