Bioactive Compound Details
| BioID | bio3022 |
|---|---|
| Name | FOSDAGROCORAT |
| ChEMBL ID | CHEMBL3137316 |
| Molecular Formula | C29H30F3N2O5P |
| Molecular Weight | 574.54 |
| Molecular Weight (Monoisotopic) | 574.1844 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | FOSDAGROCORAT|Fosdagrocorat|PF-04171327 |
| Smiles | Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OP(=O)(O)O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 |
| Inchi | InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1 |
| Inchi Key | BVXLAHSJXXSWFF-KEKPKEOLSA-N |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 0.07 |
| Records Key | ['BDBM140010', 'FOSDAGROCORAT', 'FOSDAGROCORAT', 'COVC-0672354298'] |
| Records Name | ['US8901310, Example 2', 'FOSDAGROCORAT', 'FOSDAGROCORAT', 'FOSDAGROCORAT'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
