Bioactive Compound Details
| BioID | bio2756 |
|---|---|
| Name | QUINUPRISTIN |
| ChEMBL ID | CHEMBL1200649 |
| Molecular Formula | C53H67N9O10S |
| Molecular Weight | 1022.24 |
| Molecular Weight (Monoisotopic) | 1021.4732 |
| Type | Small molecule |
| Max Phase | Phase 4 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | QUINUPRISTIN|QUINUPRISTINA|QUINUPRISTINE|RP 57669|RP-57669 |
| 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)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O |
| Inchi | InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1 |
| Inchi Key | WTHRRGMBUAHGNI-LCYNINFDSA-N |
| Molecular Species | None |
| Targets | 8.0 |
| Bioactivities | 56.0 |
| Np Likeness Score | None |
| Records Key | ['Quinupristin', 'Q', 'Quinupristin', 'QUINUPRISTIN', 'QUINUPRISTIN', 'QUINUPRISTIN', '3; Cpd Q'] |
| Records Name | ['Quinupristin', 'quinupristin', 'Quinupristin', 'QUINUPRISTIN', 'QUINUPRISTIN', 'QUINUPRISTIN', 'Quinupristin'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
