Bioactive Compound Details
| BioID | bio3469 |
|---|---|
| Name | ATINVICITINIB |
| ChEMBL ID | CHEMBL4066193 |
| Molecular Formula | C16H17FN6O3 |
| Molecular Weight | 360.35 |
| Molecular Weight (Monoisotopic) | 360.1346 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | ATINVICITINIB |
| Smiles | COc1cc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc(F)n1 |
| Inchi | InChI=1S/C16H17FN6O3/c1-25-14-5-10(4-13(17)21-14)20-16-11(15(19)24)7-23(22-16)12-8-26-3-2-9(12)6-18/h4-5,7,9,12H,2-3,8H2,1H3,(H2,19,24)(H,20,21,22)/t9-,12+/m1/s1 |
| Inchi Key | PRQMBGDYXWVEHE-SKDRFNHKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | -1.05 |
| Records Key | ['30', 'ATINVICITINIB'] |
| Records Name | ['1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-3-(2-fluoro-6-methoxypyridin-4-ylamino)-1H-pyrazole-4-carboxamide', 'ATINVICITINIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
