| BioID | bio3236 |
|---|
| Name | SETIPIPRANT |
|---|
| ChEMBL ID | CHEMBL2386081 |
|---|
| Molecular Formula | C24H19FN2O3 |
|---|
| Molecular Weight | 402.43 |
|---|
| Molecular Weight (Monoisotopic) | 402.138 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ACT-129968|KYTH-105|SETIPIPRANT|Setipiprant |
|---|
| Smiles | O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2 |
|---|
| Inchi | InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29) |
|---|
| Inchi Key | IHAXLPDVOWLUOS-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 29.0 |
|---|
| Bioactivities | 52.0 |
|---|
| Np Likeness Score | -1.38 |
|---|
| Records Key | ['28, Setipiprant, ACT-129968', 'Setipiprant', 'SETIPIPRANT', 'SETIPIPRANT', 'Setipiprant', 'SETIPIPRANT', 'COVC-2834028892', 'Setipiprant', 'Setipiprant'] |
|---|
| Records Name | ['2-(2-(1-Naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]-indol-5(2H)-yl)acetic Acid', 'Setipiprant', 'SETIPIPRANT', 'SETIPIPRANT', 'Setipiprant', 'SETIPIPRANT', 'SETIPIPRANT', 'Setipiprant', 'Setipiprant'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
