Molecule Details
| InChIKey | KTEXNACQROZXEV-JADZJFIVSA-N |
|---|---|
| Compound Name | (1S,4R,7E,11S)-4,8-Dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one |
| Canonical SMILES | C=C1C(=O)O[C@@H]2C3O[C@]3(C)CC/C=C(\C)CC[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.27 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P19838 | NFKB1 | Homo sapiens | Human | PF12796 PF00531 PF16179 PF00554 | 6.3 | IC50 | ChEMBL |
| Q00653 | NFKB2 | Homo sapiens | Human | PF00023 PF12796 PF00531 PF16179 PF00554 | 6.3 | IC50 | ChEMBL |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 6.3 | IC50 | ChEMBL |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 6.1 | IC50 | ChEMBL |