| BioID | bio3325 |
|---|
| Name | REGRELOR DISODIUM |
|---|
| ChEMBL ID | CHEMBL261244 |
|---|
| Molecular Formula | C22H23N6Na2O8P |
|---|
| Molecular Weight | 576.41 |
|---|
| Molecular Weight (Monoisotopic) | 532.1471 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | INS-50589|INS50589|REGRELOR DISODIUM |
|---|
| Smiles | CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21.[Na+].[Na+] |
|---|
| Inchi | InChI=1S/C22H25N6O8P.2Na/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13;;/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29);;/q;2*+1/p-2/b9-8+;;/t14-,15+,17-,18-,21-;;/m1../s1 |
|---|
| Inchi Key | MKQKPLQMNCXTJE-VEZQGTPESA-L |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 0.14 |
|---|
| Records Key | ['3, INS-50589', 'REGRELOR DISODIUM', 'REGRELOR DISODIUM'] |
|---|
| Records Name | ['sodium ((2S,3aR,4R,6R,6aR)-6-(6-(3-ethylureido)-9H-purin-9-yl)-2-((E)-styryl)-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl phosphate', 'REGRELOR DISODIUM', 'REGRELOR DISODIUM'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
