Bioactive Compound Details
| BioID | bio3286 |
|---|---|
| Name | ERITORAN TETRASODIUM |
| ChEMBL ID | CHEMBL3301672 |
| Molecular Formula | C66H122N2Na4O19P2 |
| Molecular Weight | 1401.6 |
| Molecular Weight (Monoisotopic) | 1312.843 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | B-1287|B1287|E-5564|E5564|ERITORAN SODIUM|ERITORAN TETRASODIUM|ERITORAN TETRASODIUM SALT |
| Smiles | CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)([O-])[O-])[C@@H]1OCC[C@@H](CCCCCCC)OC.[Na+].[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C66H126N2O19P2.4Na/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2;;;;/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78);;;;/q;4*+1/p-4/b26-25-;;;;/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-;;;;/m1..../s1 |
| Inchi Key | FEMINZOAAWPBPP-RHMAUSBNSA-J |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | None |
| Records Key | ['ERITORAN TETRASODIUM', '30', 'ERITORAN TETRASODIUM'] |
| Records Name | ['ERITORAN TETRASODIUM', 'E5564', 'ERITORAN TETRASODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
