| BioID | bio3431 |
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| Name | NERATINIB |
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| ChEMBL ID | CHEMBL180022 |
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| Molecular Formula | C30H29ClN6O3 |
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| Molecular Weight | 557.05 |
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| Molecular Weight (Monoisotopic) | 556.199 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar18 |
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| Target Name | Serine/threonine-protein kinase cot (COT) |
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| Synonyms | CDP-820|HKI-272|NERATINIB|Neratinib|WAY-179272 |
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| Smiles | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C |
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| Inchi | InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+ |
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| Inchi Key | JWNPDZNEKVCWMY-VQHVLOKHSA-N |
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| Molecular Species | BASE |
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| Targets | 798.0 |
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| Bioactivities | 2495.0 |
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| Np Likeness Score | -1.65 |
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| Records Key | ['HKI-272', '8, HKI-272', 'HKI-272', '2, HKI-272', '4, HKI-272', '4279', 'HKI-272', '11', 'SID124950160', 'HIK-272', 'Neratinib (HKI-272)', 'NERATINIB', 'NERATINIB', '25o (table 3)', 'NERATINIB (HKI-272)', 'Neratinib', 'Neratinib', 'NERATINIB', 'Neratinib', '87; HKI-272', 'Neratinib', '4', 'Neratinib', '3, HKI-272', '54', 'NERATINIB', 'Neratinib', 'NERATINIB', 'Neratinib (HKI-272)', '2; HKI272', 'EUB0000592a', 'Neratinib', 'Neratinib (HKI-272)', 'COVC-1748269057', 'Neratinib', 'Neratinib', '22', '27; HKI-272', 'EUB0000592a', '45', 'Neratinib', '9', 'Neratinib', '18', 'neratinib', 'HKI-272', 'EOS100992'] |
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| Records Name | ['HKI-272', 'neratinib', 'N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide', None, 'N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'SID124950160', 'N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'Neratinib (HKI-272)', 'NERATINIB', 'NERATINIB', '4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide', 'NERATINIB (HKI-272)', 'Neratinib', 'Neratinib', 'NERATINIB', 'Neratinib', 'Napatanib', 'Neratinib', 'Neratinib', 'Neratinib', 'Neratinib', 'N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'NERATINIB', 'Neratinib', 'NERATINIB', 'Neratinib (HKI-272)', '(E)-N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'Neratinib', 'Neratinib', 'Neratinib (HKI-272)', 'NERATINIB', 'Neratinib', 'Neratinib', 'Neratinib', 'N-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide', 'Neratinib', 'Neratinib', 'Neratinib', 'Neratinib; Neralynx', 'Neratinib', 'Neratinib', 'neratinib', 'Neratinib', 'NERATINIB'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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