| BioID | bio2981 |
|---|
| Name | SATAVAPTAN |
|---|
| ChEMBL ID | CHEMBL2107777 |
|---|
| Molecular Formula | C33H45N3O7S |
|---|
| Molecular Weight | 627.8 |
|---|
| Molecular Weight (Monoisotopic) | 627.2978 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | Aquilda|SATAVAPTAN|SATAVAPTAN MONOPHOSPHATE|SATAVAPTAN PHOSPHATE|SR 121463|SR 121463A|SR 121463B|SR-121463|SR-121463A|SR-121463B|SR121463|SR121463B|SR121463F|Satavaptan |
|---|
| Smiles | CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC |
|---|
| Inchi | InChI=1S/C33H45N3O7S/c1-6-43-25-8-9-27-26(22-25)33(14-11-23(12-15-33)13-16-35-17-19-42-20-18-35)31(38)36(27)44(39,40)29-10-7-24(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-23H,6,11-20H2,1-5H3,(H,34,37)/t23-,33+ |
|---|
| Inchi Key | CDSBFDCCJJDFCV-CKZSCMLPSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.95 |
|---|
| Records Key | ['SATAVAPTAN', 'SATAVAPTAN'] |
|---|
| Records Name | ['SATAVAPTAN', 'SATAVAPTAN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
