| BioID | bio13447 |
|---|
| Name | ATOPAXAR |
|---|
| ChEMBL ID | CHEMBL2103856 |
|---|
| Molecular Formula | C29H38FN3O5 |
|---|
| Molecular Weight | 527.64 |
|---|
| Molecular Weight (Monoisotopic) | 527.2795 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar6 |
|---|
| Target Name | E-selectin (SELE) |
|---|
| Synonyms | ATOPAXAR|Atopaxar|E-5555|E5555|ER-172594-00 |
|---|
| Smiles | CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2 |
|---|
| Inchi | InChI=1S/C29H38FN3O5/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 |
|---|
| Inchi Key | QWKAUGRRIXBIPO-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | -0.67 |
|---|
| Records Key | ['ATOPAXAR', 'ATOPAXAR', '4188', 'Atopaxar', 'COVC-2820811880'] |
|---|
| Records Name | ['ATOPAXAR', 'ATOPAXAR', None, 'Atopaxar', 'ATOPAXAR'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
