Molecule Details
| InChIKey | QDPLDWHKADLDOC-UTLPMFLDSA-N |
|---|---|
| Compound Name | 4-[(E)-2-[3-[(E)-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]-2-methoxy-6-(3-methylbut-2-enyl)phenol |
| Canonical SMILES | COc1cc(/C=C/c2cc(/C=C/c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.89 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14684 | PTGES | Homo sapiens | Human | PF01124 | 7.9 | IC50 | ChEMBL;BindingDB |
| P09917 | ALOX5 | Homo sapiens | Human | PF00305 PF01477 | 7.9 | IC50 | ChEMBL;BindingDB |
| P16050 | ALOX15 | Homo sapiens | Human | PF00305 PF01477 | 7.9 | IC50 | ChEMBL;BindingDB |
| P23219 | PTGS1 | Homo sapiens | Human | PF03098 | 7.9 | IC50 | ChEMBL;BindingDB |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 7.9 | IC50 | ChEMBL;BindingDB |