| BioID | bio3432 |
|---|
| Name | EDICOTINIB |
|---|
| ChEMBL ID | CHEMBL3674570 |
|---|
| Molecular Formula | C27H35N5O2 |
|---|
| Molecular Weight | 461.61 |
|---|
| Molecular Weight (Monoisotopic) | 461.2791 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | EDICOTINIB|JNJ-40346527 |
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| Smiles | CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 |
|---|
| Inchi | InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33) |
|---|
| Inchi Key | BNVPFDRNGHMRJS-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | 0.1 |
|---|
| Records Key | ['EDICOTINIB', 'BDBM98634', 'JNJ-40346527', 'EDICOTINIB', '1; JNJ-40346527', 'JNJ-40346527', 'COVC-2284134075', 'Edicotinib', 'EOS101336'] |
|---|
| Records Name | ['EDICOTINIB', 'US8497376, 15', 'JNJ-40346527', 'EDICOTINIB', '5-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-6-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)pyridin-3-yl)-1H-imidazole-2-carboxamide', 'JNJ-40346527', 'EDICOTINIB', 'Edicotinib', 'JNJ-40346527'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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