Bioactive Compound Details
| BioID | bio2305 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1774289 |
| Molecular Formula | C44H74N2O13 |
| Molecular Weight | 839.08 |
| Molecular Weight (Monoisotopic) | 838.5191 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Erythromycin A 9-Oxime Benzyl Ether |
| Smiles | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O |
| Inchi | InChI=1S/C44H74N2O13/c1-14-32-44(10,52)37(48)26(4)34(45-54-23-30-18-16-15-17-19-30)24(2)21-42(8,51)39(59-41-35(47)31(46(11)12)20-25(3)55-41)27(5)36(28(6)40(50)57-32)58-33-22-43(9,53-13)38(49)29(7)56-33/h15-19,24-29,31-33,35-39,41,47-49,51-52H,14,20-23H2,1-13H3/b45-34+/t24-,25-,26+,27+,28-,29+,31+,32-,33+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1 |
| Inchi Key | XNQSMGCYXKVOGL-QJIYQREHSA-N |
| Molecular Species | BASE |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.39 |
| Records Key | ['7'] |
| Records Name | ['Erythromycin A 9-oxime benzyl ether'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
