elzovantinib   Click here for help

GtoPdb Ligand ID: 11869

Synonyms: compound 5 [WO2019023417A1] | CSF1R-IN-2 | TPX-0022 | TPX002
Compound class: Synthetic organic
Comment: Elzovantinib (TPX-0022) is a MET tyrosine kinase inhibitor that targets the SRC and CSF1R pathways in cancers [1]. It has demonstrated activity in patients with MET-driven gastric cancer in Phase 1 clinical trial.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 121.57
Molecular weight 409.17
XLogP 2.89
No. Lipinski's rules broken 0
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Canonical SMILES CCN1Cc2c(ccc(c2C#N)F)O[C@@H](C)CNC(=O)c2c3nc1ccn3nc2N
Isomeric SMILES CCN1Cc2c(ccc(c2C#N)F)O[C@H](CNC(=O)c2c3nc1ccn3nc2N)C
InChI InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1
1. Cui JJ, Rogers EW, Ung J, Whitten J, Zhai D, Deng W, Zhang X, Huang Z, Liu J, Zhang H. (2019)
Macrocyclic compounds and uses thereof.
Patent number: WO2019023417A1. Assignee: Tp Therapeutics, Inc.. Priority date: 28/07/2017. Publication date: 31/01/2019.