| BioID | bio1943 |
|---|
| Name | ELISMETREP |
|---|
| ChEMBL ID | CHEMBL3682589 |
|---|
| Molecular Formula | C27H21F3N2O5S |
|---|
| Molecular Weight | 542.54 |
|---|
| Molecular Weight (Monoisotopic) | 542.1123 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ELISMETREP|MT-8554 |
|---|
| Smiles | O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1 |
|---|
| Inchi | InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34) |
|---|
| Inchi Key | CWEFDWIKLABKBX-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -1.04 |
|---|
| Records Key | ['BDBM151677', 'ELISMETREP', 'ELISMETREP'] |
|---|
| Records Name | ['US8987445, 104', 'ELISMETREP', 'ELISMETREP'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
