Bioactive Compound Details
| BioID | bio1481 |
|---|---|
| Name | DEURUXOLITINIB PHOSPHATE |
| ChEMBL ID | CHEMBL4594382 |
| Molecular Formula | C17H21N6O4P |
| Molecular Weight | 412.42 |
| Molecular Weight (Monoisotopic) | 306.1593 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | C-21543 phosphate|CTP-543 phosphate|D8- ruxolitinib phosphate|D8-RUXOLITINIB PHOSPHATE|DEURUXOLITINIB PHOSPHATE |
| Smiles | O=P(O)(O)O.[2H]C1([2H])C([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H] |
| Inchi | InChI=1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1/i1D2,2D2,3D2,4D2; |
| Inchi Key | JFMWPOCYMYGEDM-NTVOUFPTSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.9 |
| Records Key | ['DEURUXOLITINIB PHOSPHATE'] |
| Records Name | ['DEURUXOLITINIB PHOSPHATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
