| BioID | bio3400 |
|---|
| Name | GANDOTINIB |
|---|
| ChEMBL ID | CHEMBL2107823 |
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| Molecular Formula | C23H25ClFN7O |
|---|
| Molecular Weight | 469.95 |
|---|
| Molecular Weight (Monoisotopic) | 469.1793 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar18 |
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| Target Name | Serine/threonine-protein kinase cot (COT) |
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| Synonyms | GANDOTINIB|Gandotinib|LY-2784544|LY2784544 |
|---|
| Smiles | Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1 |
|---|
| Inchi | InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30) |
|---|
| Inchi Key | SQSZANZGUXWJEA-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 14.0 |
|---|
| Bioactivities | 26.0 |
|---|
| Np Likeness Score | -1.82 |
|---|
| Records Key | ['Gandotinib (LY2784544)', 'GANDOTINIB', 'GANDOTINIB (LY2784544)', 'Gandotinib (LY2784544)', '1380093', 'GANDOTINIB', 'Gandotinib (LY2784544)', 'Hit5', '13', 'LY2784544', '34'] |
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| Records Name | ['Gandotinib (LY2784544)', 'GANDOTINIB', 'GANDOTINIB (LY2784544)', 'Gandotinib (LY2784544)', None, 'GANDOTINIB', 'Gandotinib (LY2784544)', '3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine', 'Gandotinib', 'Gandotinib', 'Gandotinib'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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