| BioID | bio3376 |
|---|
| Name | INOBRODIB |
|---|
| ChEMBL ID | CHEMBL4785363 |
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| Molecular Formula | C30H32F2N4O3 |
|---|
| Molecular Weight | 534.61 |
|---|
| Molecular Weight (Monoisotopic) | 534.2442 |
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| Type | Small molecule |
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| Max Phase | Phase 1 |
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| Target ID | Tar18 |
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| Target Name | Serine/threonine-protein kinase cot (COT) |
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| Synonyms | CCS 1477|CCS-1477|CCS1477|INOBRODIB |
|---|
| Smiles | CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1 |
|---|
| Inchi | InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20-,22-,27-/m0/s1 |
|---|
| Inchi Key | SKDNDJWEBPQKCS-CLHVYKLBSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 17.0 |
|---|
| Bioactivities | 36.0 |
|---|
| Np Likeness Score | -1.23 |
|---|
| Records Key | ['COVC-1223085504', 'INOBRODIB', '4; CCS1477', 'INOBRODIB'] |
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| Records Name | ['CCS-1477 (S*)', 'INOBRODIB', '(S)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-((1r,4S)-4-methoxycyclohexyl)-1H-benzo[d]imidazol-2-yl)piperidin-2-one', 'INOBRODIB'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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