| BioID | bio1945 |
|---|
| Name | TRADIPITANT |
|---|
| ChEMBL ID | CHEMBL3544984 |
|---|
| Molecular Formula | C28H16ClF6N5O |
|---|
| Molecular Weight | 587.91 |
|---|
| Molecular Weight (Monoisotopic) | 587.0948 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LY-686017|LY686017|TRADIPITANT|Tradipitant|VLY-686 |
|---|
| Smiles | O=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1 |
|---|
| Inchi | InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2 |
|---|
| Inchi Key | CAVRKWRKTNINFF-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.3 |
|---|
| Records Key | ['TRADIPITANT', 'TRADIPITANT'] |
|---|
| Records Name | ['TRADIPITANT', 'TRADIPITANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
