| BioID | bio2025 |
|---|
| Name | ATOPAXAR HYDROBROMIDE |
|---|
| ChEMBL ID | CHEMBL2105699 |
|---|
| Molecular Formula | C29H39BrFN3O5 |
|---|
| Molecular Weight | 608.55 |
|---|
| Molecular Weight (Monoisotopic) | 527.2795 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ATOPAXAR HYDROBROMIDE|E-5555 HBR|E5555|E5555 HBR|ER-172594-06 |
|---|
| Smiles | Br.CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2 |
|---|
| Inchi | InChI=1S/C29H38FN3O5.BrH/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32;/h13-15,31H,7-12,16-17H2,1-6H3;1H |
|---|
| Inchi Key | UNMBLVOFOAGGCG-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.67 |
|---|
| Records Key | ['ATOPAXAR HYDROBROMIDE', 'Example 1'] |
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| Records Name | ['ATOPAXAR HYDROBROMIDE', '1-(3-tert-Butyl-4-methoxy-5-morpholino-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-1,3-dihydro-isoindol-2-yl)-ethanone hydrobromide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
