| BioID | bio2815 |
|---|
| Name | SIMENEPAG ISOPROPYL |
|---|
| ChEMBL ID | CHEMBL2105710 |
|---|
| Molecular Formula | C26H35NO5S |
|---|
| Molecular Weight | 473.64 |
|---|
| Molecular Weight (Monoisotopic) | 473.2236 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AGN-210669|SIMENEPAG ISOPROPYL |
|---|
| Smiles | CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)OC(C)C)s2)cc1 |
|---|
| Inchi | InChI=1S/C26H35NO5S/c1-4-5-6-7-23(28)19-8-10-20(11-9-19)27-21(12-15-25(27)29)16-31-17-22-13-14-24(33-22)26(30)32-18(2)3/h8-11,13-14,18,21,23,28H,4-7,12,15-17H2,1-3H3/t21-,23+/m1/s1 |
|---|
| Inchi Key | MSIIJNOQQWRTFC-GGAORHGYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.49 |
|---|
| Records Key | ['SIMENEPAG ISOPROPYL', 'SIMENEPAG ISOPROPYL'] |
|---|
| Records Name | ['SIMENEPAG ISOPROPYL', 'SIMENEPAG ISOPROPYL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
