| BioID | bio3109 |
|---|
| Name | LINZAGOLIX CHOLINE |
|---|
| ChEMBL ID | CHEMBL4298171 |
|---|
| Molecular Formula | C27H28F3N3O8S |
|---|
| Molecular Weight | 611.6 |
|---|
| Molecular Weight (Monoisotopic) | 508.0552 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | KLH-2109 choline|LINZAGOLIX CHOLINE|OBE2109 choline|Yselty |
|---|
| Smiles | COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)cc1OCc1c(OC)ccc(F)c1F.C[N+](C)(C)CCO |
|---|
| Inchi | InChI=1S/C22H15F3N2O7S.C5H14NO/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30;1-6(2,3)4-5-7/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30);7H,4-5H2,1-3H3/q;+1/p-1 |
|---|
| Inchi Key | IAIVRTFCYOGNBW-UHFFFAOYSA-M |
|---|
| Molecular Species | ACID |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.0 |
|---|
| Records Key | ['LINZAGOLIX CHOLINE', 'LINZAGOLIX CHOLINE'] |
|---|
| Records Name | ['LINZAGOLIX CHOLINE', 'LINZAGOLIX CHOLINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
