| BioID | bio2873 |
|---|
| Name | FOSAPREPITANT |
|---|
| ChEMBL ID | CHEMBL1199324 |
|---|
| Molecular Formula | C23H22F7N4O6P |
|---|
| Molecular Weight | 614.41 |
|---|
| Molecular Weight (Monoisotopic) | 614.1165 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | FOSAPREPITANT|IVEMEND|L-758298 |
|---|
| Smiles | C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
|---|
| Inchi | InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1 |
|---|
| Inchi Key | BARDROPHSZEBKC-OITMNORJSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -0.63 |
|---|
| Records Key | ['FOSAPREPITANT', 'Fosaprepitant', 'Fosaprepitant', 'FOSAPREPITANT', 'Fosaprepitant dimeglumine salt'] |
|---|
| Records Name | ['FOSAPREPITANT', 'Fosaprepitant', 'Fosaprepitant', 'FOSAPREPITANT', 'Fosaprepitant dimeglumine salt'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
