| BioID | bio3064 |
|---|
| Name | RELUGOLIX |
|---|
| ChEMBL ID | CHEMBL1800159 |
|---|
| Molecular Formula | C29H27F2N7O5S |
|---|
| Molecular Weight | 623.64 |
|---|
| Molecular Weight (Monoisotopic) | 623.1762 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | Orgovyx|RELUGOLIX|Relugolix|TAK-385 |
|---|
| Smiles | CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1 |
|---|
| Inchi | InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40) |
|---|
| Inchi Key | AOMXMOCNKJTRQP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 11.0 |
|---|
| Bioactivities | 60.0 |
|---|
| Np Likeness Score | -1.7 |
|---|
| Records Key | ['RELUGOLIX', '16b, TAK-385', 'Relugolix', 'TAK-385', 'Relugolix', 'RELUGOLIX', 'RELUGOLIX', '1', 'RELUGOLIX'] |
|---|
| Records Name | ['RELUGOLIX', '1-{4-[1-(2,6-Difluorobenzyl)-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea', 'Relugolix', 'Relugolix', 'Relugolix', 'RELUGOLIX', 'RELUGOLIX', 'Relugolix; Orgovyx', 'RELUGOLIX'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
