| BioID | bio3362 |
|---|
| Name | TOLEBRUTINIB |
|---|
| ChEMBL ID | CHEMBL4650323 |
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| Molecular Formula | C26H25N5O3 |
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| Molecular Weight | 455.52 |
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| Molecular Weight (Monoisotopic) | 455.1957 |
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| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar18 |
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| Target Name | Serine/threonine-protein kinase cot (COT) |
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| Synonyms | PRN-2246|PRN2246|SAR-442168|SAR442168|TOLEBRUTINIB |
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| Smiles | C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1 |
|---|
| Inchi | InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1 |
|---|
| Inchi Key | KOEUOFPEZFUWRF-LJQANCHMSA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 5.0 |
|---|
| Bioactivities | 20.0 |
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| Np Likeness Score | -0.59 |
|---|
| Records Key | ['TOLEBRUTINIB', '8', '20', 'TOLEBRUTINIB', '30; SAR442168', 'PRN2246'] |
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| Records Name | ['TOLEBRUTINIB', 'Tolebrutinib', 'Tolebrutinib', 'TOLEBRUTINIB', 'Tolebrutinib', 'Tolebrutinib'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
