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
SMILES / InChI / InChIKey
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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)
InChI Key GYPOVJZOMXEUDO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[2-[4-(2-amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]urea
Synonyms Click here for help
ONO 7579 | ONO7579
Database Links Click here for help
ChEMBL Ligand CHEMBL3892052
GtoPdb PubChem SID 405067322
PubChem CID 78322573
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