KX2-361   Click here for help

GtoPdb Ligand ID: 10004

Synonyms: KX-02 | KX2 361 | KX2361
Compound class: Synthetic organic
Comment: KX2-361 is a small molecule with a dual mode of action. It is a Src kinase inhibitor and an inhibitor of tubulin polymerization [1]. It is being investigated for antiproliferative potential. It is closely related to tirbanibulin, and like KX2-391 is a peptide substrate site binder rather than a competitive ATP binding site inhibitor. KX2-361 is orally bioavailable and shows a significant level of brain tissue exposure following oral administration.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.46
Molecular weight 405.19
XLogP 3.82
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCOCC1)NCc1cccc(c1)F
Isomeric SMILES O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCOCC1)NCc1cccc(c1)F
InChI InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)
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Molecular structure representations generated using Open Babel