Bioactive Compound Details
| BioID | bio3538 |
|---|---|
| Name | CINSEBRUTINIB |
| ChEMBL ID | CHEMBL5314511 |
| Molecular Formula | C22H26FN3O2 |
| Molecular Weight | 383.47 |
| Molecular Weight (Monoisotopic) | 383.2009 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | CINSEBRUTINIB |
| Smiles | C=CC(=O)N1CCC[C@@H](c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CCCCC4)C1 |
| Inchi | InChI=1S/C22H26FN3O2/c1-2-18(27)26-10-6-7-13(12-26)19-16(23)11-15(22(24)28)21-20(19)14-8-4-3-5-9-17(14)25-21/h2,11,13,25H,1,3-10,12H2,(H2,24,28)/t13-/m1/s1 |
| Inchi Key | NEHJPDSXWUIXGI-CYBMUJFWSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.63 |
| Records Key | ['CINSEBRUTINIB'] |
| Records Name | ['CINSEBRUTINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
