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
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
Bioactivity Comments
SU-14813 exhibits potent antiangiogenic and antitumour activity in vivo [3].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
kinase insert domain receptor Hs Inhibitor Inhibition 8.6 pKd - 1
pKd 8.6 (Kd 2.3x10-9 M) [1]
fms related receptor tyrosine kinase 1 Hs Inhibitor Inhibition 8.7 pIC50 - 3
pIC50 8.7 (IC50 2x10-9 M) [3]
platelet derived growth factor receptor beta Hs Inhibitor Inhibition 8.4 pIC50 - 3
pIC50 8.4 (IC50 4x10-9 M) [3]
KIT proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 7.8 pIC50 - 3
pIC50 7.8 (IC50 1.5x10-8 M) [3]
kinase insert domain receptor Hs Inhibitor Inhibition 7.3 pIC50 - 3
pIC50 7.3 (IC50 5x10-8 M) [3]
fibroblast growth factor receptor 1 Hs Inhibitor Inhibition 5.5 pIC50 - 3
pIC50 5.5 (IC50 3.5x10-6 M) [3]