Bioactive Compound Details
| BioID | bio3562 |
|---|---|
| Name | ACALABRUTINIB MALEATE |
| ChEMBL ID | CHEMBL4594293 |
| Molecular Formula | C30H27N7O6 |
| Molecular Weight | 581.59 |
| Molecular Weight (Monoisotopic) | 465.1913 |
| Type | Small molecule |
| Max Phase | Phase 4 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | ACALABRUTINIB MALEATE|ACALABRUTINIB MALEATE ANHYDROUS|CALQUENCE MALEATE|Calquence |
| Smiles | CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.O=C(O)/C=C\C(=O)O |
| Inchi | InChI=1S/C26H23N7O2.C4H4O4/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20;5-3(6)1-2-4(7)8/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35);1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-;/m0./s1 |
| Inchi Key | JWEQLWMZHJSMEC-AFJTUFCWSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.95 |
| Records Key | ['ACALABRUTINIB MALEATE', 'ACALABRUTINIB MALEATE'] |
| Records Name | ['ACALABRUTINIB MALEATE', 'ACALABRUTINIB MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
