Molecule Details
| InChIKey | HXQPYRLIMMRKRK-BLRXOPECSA-N |
|---|---|
| Compound Name | (1S,3R,6S,8R,11S,13R,16S,18R,21S,23S,26S,28R,31S,33S)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyltellanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol |
| Canonical SMILES | OCC1O[C@@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(C[Te]CC8O[C@@H]9O[C@@H]%10C(CO)O[C@@H](O[C@@H]%11C(CO)O[C@H](O[C@@H]%12C(CO)O[C@H](O[C@@H]%13C(CO)O[C@H](O[C@@H]%14C(CO)O[C@H](O[C@@H]%15C(CO)O[C@H](O[C@H]8C(O)C9O)C(O)C%15O)C(O)C%14O)C(O)C%13O)C(O)C%12O)C(O)C%11O)C(O)C%10O)O[C@H](O[C@@H]8C(CO)O[C@H](O[C@H]1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.3 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile