| BioID | bio2696 |
|---|
| Name | FIGOPITANT |
|---|
| ChEMBL ID | CHEMBL2104927 |
|---|
| Molecular Formula | C27H31F6N3O |
|---|
| Molecular Weight | 527.55 |
|---|
| Molecular Weight (Monoisotopic) | 527.2371 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BIIF 1149|BIIF 1149 BS|BIIF 1149 CL|BIIF-1149 BS|BIIF-1149-BS|FIGOPITANT|Figopitant |
|---|
| Smiles | CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCN(CC2CC2)CC1 |
|---|
| Inchi | InChI=1S/C27H31F6N3O/c1-34(10-9-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33)25(37)24(21-5-3-2-4-6-21)36-13-11-35(12-14-36)18-19-7-8-19/h2-6,15-17,19,24H,7-14,18H2,1H3/t24-/m0/s1 |
|---|
| Inchi Key | HUTHJVYJUPXHDF-DEOSSOPVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.17 |
|---|
| Records Key | ['FIGOPITANT', 'FIGOPITANT'] |
|---|
| Records Name | ['FIGOPITANT', 'FIGOPITANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
