ONO-7579   Click here for help

GtoPdb Ligand ID: 10729

Synonyms: ONO 7579 | ONO7579
Compound class: Synthetic organic
Comment: Highly potent and selective pan-tropomyosin receptor kinase family (neurotrophic tyrosine receptor kinase; TRKA, TRKB, TRKC) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 157.57
Molecular weight 578.08
XLogP 4.92
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N
Isomeric SMILES O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N
InChI InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)
Bioactivity Comments
The or a lly a va ila ble and nove l s ma ll mole c ule, ONO-7579 (N-{2-[4-(2-amino-5-chlor opyr idin-3-yl)phenoxy]pyr imidin-5-yl}-N'-[2-( methanesulf onyl)-5-(trifluoromethyl)phenyl]urea), is a highly potent and selective pan-tropomyosin receptor kinase (TRK) inhibit orNeurotrophic tyrosine receptor kinase (NTRK) 1, NTRK2, and NTRK3 genes encode tropomyosin receptor kinase (TRK) A, TRKB, and TRKC, respectively, which are members of the TRK family of receptor tyrosine kinases.
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
neurotrophic receptor tyrosine kinase 1 N/A Inhibitor Inhibition - - - 1
neurotrophic receptor tyrosine kinase 2 N/A Inhibitor Inhibition - - - 1
neurotrophic receptor tyrosine kinase 3 N/A Inhibitor Inhibition - - - 1