Bioactive Compound Details
| BioID | bio2190 |
|---|---|
| Name | LEXITHROMYCIN |
| ChEMBL ID | CHEMBL2106397 |
| Molecular Formula | C38H70N2O13 |
| Molecular Weight | 762.98 |
| Molecular Weight (Monoisotopic) | 762.4878 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ERTHROMYCIN A 9-(O-METHYLOXIME)|ERYTHROMYCIN 9-(O-METHYLOXIME)|ERYTHROMYCIN METHYLOXIME|ERYTHROMYCIN, 9-(O-METHYLOXIME)|LEXITHROMYCIN|LEXITHROMYCINE|LEXITROMICINA|WY-483 14|WY-48314 |
| 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/OC)[C@H](C)[C@@H](O)[C@]1(C)O |
| Inchi | InChI=1S/C38H70N2O13/c1-15-26-38(10,46)31(42)21(4)28(39-48-14)19(2)17-36(8,45)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-37(9,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3/b39-28-/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 |
| Inchi Key | HPZGUSZNXKOMCQ-IXGVTZHESA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 1.65 |
| Records Key | ['LEXITHROMYCIN'] |
| Records Name | ['LEXITHROMYCIN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
