| BioID | bio3421 |
|---|
| Name | ALECTINIB |
|---|
| ChEMBL ID | CHEMBL1738797 |
|---|
| Molecular Formula | C30H34N4O2 |
|---|
| Molecular Weight | 482.63 |
|---|
| Molecular Weight (Monoisotopic) | 482.2682 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | AF-802|AF802|ALECENSA|ALECTINIB|CH-5424802|CH5424802|RO-5424802|RO5424802 |
|---|
| Smiles | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O |
|---|
| Inchi | InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3 |
|---|
| Inchi Key | KDGFLJKFZUIJMX-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 402.0 |
|---|
| Bioactivities | 585.0 |
|---|
| Np Likeness Score | -0.21 |
|---|
| Records Key | ['ALECTINIB', 'SID174006440', '18a, CH5424802', '5725', 'Alectinib', 'ALECTINIB', '125', '3', 'COVC-3356418964', 'Alectinib', 'CH5424802', '4; CH5424802', 'CH5424802', '3; CH5424802', 'ALECTINIB', 'ALECTINIB', 'CH5424802', '1', 'Alectinib; CH5424802', 'CH5424802', 'ALECTINIB', '5', 'CH5424802', 'ALECTINIB', 'BDBM50362781', 'Alectinib', '3', 'Alectinib', 'CH5424802', 'EUB0001790a', 'Alectinib', 'Alectinib', 'alectinib', 'EOS101384', 'Alectinib', 'EUB0001790a', '40'] |
|---|
| Records Name | ['ALECTINIB', 'SID174006440', '9-ethyl-6,6-dimethyl-8-(4-morpholinopiperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile', None, 'Alectinib', 'ALECTINIB', 'Alectinib', 'Alectinib', 'ALECTINIB', 'Alectinib', 'Alectinib', 'Alectinib', 'CH5424802', 'Alectinib', 'ALECTINIB', 'ALECTINIB', 'CH5424802', 'alectinib', 'Alectinib', 'CH5424802', 'ALECTINIB', 'Alectinib', 'CH5424802', 'ALECTINIB', 'CHEMBL1738797::US9126931, 366', 'Alectinib', 'Alectinib', 'Alectinib', 'CH5424802', 'CH5424802', 'Alectinib', 'Alectinib', 'alectinib', 'ALECTINIB', '9-ethyl-6,6-dimethyl-8-(4-morpholino-1-piperidyl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile', 'CH5424802', 'Alectinib'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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