Bioactive Compound Details
| BioID | bio3455 |
|---|---|
| Name | UPADACITINIB TARTRATE |
| ChEMBL ID | CHEMBL3707269 |
| Molecular Formula | C21H33F3N6O11 |
| Molecular Weight | 602.52 |
| Molecular Weight (Monoisotopic) | 380.1572 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | UPADACITINIB TARTRATE |
| Smiles | CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12.O.O.O.O.O=C(O)C(O)C(O)C(=O)O |
| Inchi | InChI=1S/C17H19F3N6O.C4H6O6.4H2O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15;5-1(3(7)8)2(6)4(9)10;;;;/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10);4*1H2/t10-,11+;;;;;/m1...../s1 |
| Inchi Key | LATZVDXOTDYECD-UFTFXDLESA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.1 |
| Records Key | ['UPADACITINIB TARTRATE', 'UPADACITINIB TARTRATE'] |
| Records Name | ['UPADACITINIB TARTRATE', 'UPADACITINIB TARTRATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
