| BioID | bio2851 |
|---|
| Name | ELAGOLIX |
|---|
| ChEMBL ID | CHEMBL1208155 |
|---|
| Molecular Formula | C32H30F5N3O5 |
|---|
| Molecular Weight | 631.6 |
|---|
| Molecular Weight (Monoisotopic) | 631.2106 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ELAGOLIX|Elagolix|NBI-56418 |
|---|
| Smiles | COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F |
|---|
| Inchi | InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1 |
|---|
| Inchi Key | HEAUOKZIVMZVQL-VWLOTQADSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.8 |
|---|
| Records Key | ['ELAGOLIX', 'ELAGOLIX', 'ELAGOLIX', 'Elagolix', 'Elagolix', 'ELAGOLIX', 'Elagolix', '14'] |
|---|
| Records Name | ['ELAGOLIX', 'ELAGOLIX', 'ELAGOLIX', 'Elagolix', 'Elagolix', 'ELAGOLIX', 'Elagolix', 'Elagolix'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
