Bioactive Compound Details
| BioID | bio2856 |
|---|---|
| Name | VOLPRISTIN |
| ChEMBL ID | CHEMBL2105600 |
| Molecular Formula | C28H37N3O7 |
| Molecular Weight | 527.62 |
| Molecular Weight (Monoisotopic) | 527.2632 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | OSTREOGRYCIN G|VOLPRISTIN|VOLPRISTINA|VOLPRISTINE |
| Smiles | CC1=C\[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC[C@@H]2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC\C=C\1 |
| Inchi | InChI=1S/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,23-,26-/m1/s1 |
| Inchi Key | JOOMGSFOCRDAHL-WPZKFCHQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.65 |
| Records Key | ['VOLPRISTIN', '440'] |
| Records Name | ['VOLPRISTIN', 'Pristinamycin IIB'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
