Molecule Details
| InChIKey | AQQJWCANVMFTFP-UNZGICRGSA-N |
|---|---|
| Compound Name | (2R,3R)-3-ethyl-2-[(2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethyl-6-[(2S,3S)-3-methyloxiran-2-yl]hexyl]-2,3-dihydropyran-6-one |
| Canonical SMILES | CC[C@@H]1C=CC(=O)O[C@@H]1C[C@@H](O)[C@H](C)[C@H](OC)[C@@H](C)C[C@@H]1O[C@H]1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.27 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A6NHL2 | TUBAL3 | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL;BindingDB |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL |
| Q9NY65 | TUBA8 | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL |