Molecule Details
| InChIKey | WESGVHHRAFNWER-MDZDMXLPSA-N |
|---|---|
| Compound Name | 1-methyl-1-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]pyrrolidin-1-ium |
| Canonical SMILES | C[N+]1(CCOc2ccc(/C=C/c3ccccc3)cc2)CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.93 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9GZZ6 | CHRNA10 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | IC50 | ChEMBL |
| Q9UGM1 | CHRNA9 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | IC50 | ChEMBL |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | Ki | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | Ki | ChEMBL |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 7.9 | IC50 | ChEMBL |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Ki | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Ki | ChEMBL |