| BioID | bio3053 |
|---|
| Name | PESAMPATOR |
|---|
| ChEMBL ID | CHEMBL5095022 |
|---|
| Molecular Formula | C18H20N2O4S2 |
|---|
| Molecular Weight | 392.5 |
|---|
| Molecular Weight (Monoisotopic) | 392.0864 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BIIB-104|BIIB104|PESAMPATOR|PF-04958242|PF-4958242 |
|---|
| Smiles | CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc1ccc(-c2ccc(C#N)s2)cc1 |
|---|
| Inchi | InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1 |
|---|
| Inchi Key | TTYKUKSFWHEBLI-DLBZAZTESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.42 |
|---|
| Records Key | ['PESAMPATOR', 'PESAMPATOR', 'PESAMPATOR'] |
|---|
| Records Name | ['PESAMPATOR', 'PESAMPATOR', 'PESAMPATOR'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
