Bioactive Compound Details
| BioID | bio2039 |
|---|---|
| Name | EFEPRISTIN |
| ChEMBL ID | CHEMBL2105803 |
| Molecular Formula | C44H52N8O10 |
| Molecular Weight | 852.95 |
| Molecular Weight (Monoisotopic) | 852.3806 |
| Type | Protein |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | EFEPRISTIN|EFEPRISTINA|EFEPRISTINE|OSTREOGRYCIN B2|PRISTINAMYCIN IB|VERNAMYCIN B.BETA. |
| Smiles | CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(NC)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O |
| Inchi | InChI=1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)/t25-,30-,31+,32+,33+,35+,36+/m1/s1 |
| Inchi Key | PCOXSOQWQVRJCH-RIECGXCRSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.59 |
| Records Key | ['EFEPRISTIN'] |
| Records Name | ['EFEPRISTIN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
