Bioactive Compound Details
| BioID | bio2211 |
|---|---|
| Name | CEPHALOSTATIN 9 |
| ChEMBL ID | CHEMBL256077 |
| Molecular Formula | C54H76N2O11 |
| Molecular Weight | 929.21 |
| Molecular Weight (Monoisotopic) | 928.5449 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Cephalostatin 9 |
| Smiles | C[C@@H]1[C@H]2CC=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@@]32COC1(O)[C@H](O)CC(C)(C)O)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@]4(O)[C@@]3(C)[C@H](O)C[C@@H]2[C@@]1(C)C7 |
| Inchi | InChI=1S/C54H76N2O11/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-65-53(26,64)43(60)22-46(3,4)62)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,63)27(2)54(66-45)44(61)23-47(5,24-57)67-54/h14,19,26-32,34-35,41,43-45,57-58,60-64H,9-13,15-18,20-25H2,1-8H3/t26-,27+,28+,29+,30+,31-,32-,34+,35+,41-,43-,44-,45+,47+,48+,49+,50-,51-,52-,53?,54+/m1/s1 |
| Inchi Key | XLBCKHQLKVRGAX-ODRYYMROSA-N |
| Molecular Species | NEUTRAL |
| Targets | 13.0 |
| Bioactivities | 15.0 |
| Np Likeness Score | 1.78 |
| Records Key | ['9', '3'] |
| Records Name | ['cephalostatin 9', 'cephalostatin 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
