GtoPdb Ligand ID: 6043

Synonyms: SU-11652
Compound class: Synthetic organic
Comment: SU11652 is a cell-permeable compound that acts as a potent, reversible, and ATP-competitive tyrosine kinase receptor inhibitor. The synthesis and discovery of this compound is decribed in [4], where it is compound 12c.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 77.23
Molecular weight 414.18
XLogP 3.4
No. Lipinski's rules broken 0
Canonical SMILES CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(Cl)cc2)CC
Isomeric SMILES CCN(CCNC(=O)c1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cc(Cl)cc2)CC
InChI InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
platelet derived growth factor receptor beta Hs Inhibitor Inhibition 8.5 pIC50 - 4
pIC50 8.5 (IC50 3x10-9 M) [4]
KIT proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 8.0 pIC50 - 2
pIC50 8.0 (IC50 1x10-8 M) [2]
kinase insert domain receptor Hs Inhibitor Inhibition 7.6 pIC50 - 4
pIC50 7.6 (IC50 2.7x10-8 M) [4]
fibroblast growth factor receptor 1 Hs Inhibitor Inhibition 6.8 pIC50 - 4
pIC50 6.8 (IC50 1.7x10-7 M) [4]