Bioactive Compound Details
| BioID | bio3357 |
|---|---|
| Name | BREPOCITINIB |
| ChEMBL ID | CHEMBL4297477 |
| Molecular Formula | C18H21F2N7O |
| Molecular Weight | 389.41 |
| Molecular Weight (Monoisotopic) | 389.1776 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | BREPOCITINIB|PF-06700841 |
| Smiles | Cn1cc(Nc2nccc(N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1 |
| Inchi | InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1 |
| Inchi Key | BUWBRTXGQRBBHG-MJBXVCDLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -1.5 |
| Records Key | ['BREPOCITINIB', 'BREPOCITINIB', '1; PF-06700841'] |
| Records Name | ['BREPOCITINIB', 'BREPOCITINIB', 'Brepocitinib'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
