| BioID | bio3378 |
|---|
| Name | ATUZABRUTINIB |
|---|
| ChEMBL ID | CHEMBL4114766 |
|---|
| Molecular Formula | C30H30FN7O2 |
|---|
| Molecular Weight | 539.62 |
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| Molecular Weight (Monoisotopic) | 539.2445 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 1 |
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| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
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| Synonyms | ATUZABRUTINIB|PRN-473|PRN473|SAR-444727|SAR444727 |
|---|
| Smiles | CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 |
|---|
| Inchi | InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1 |
|---|
| Inchi Key | KZMQPYCXSAGLTB-ZWUNQBBJSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 20.0 |
|---|
| Bioactivities | 69.0 |
|---|
| Np Likeness Score | -1.06 |
|---|
| Records Key | ['BDBM197260', '11; PRN473', 'ATUZABRUTINIB'] |
|---|
| Records Name | ['US9090621, 125A', '2-((R)-3-(4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo-[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile', 'ATUZABRUTINIB'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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