Molecule Details
| InChIKey | RUEDGHCKLGSDLO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1,1'',1'''',1''''''-(5,5'',5'''',5''''''-(Benzene-1,2,4,5-tetrayl)tetrakis(pent-4-yne-5,1-diyl))tetrakis(3-phenylpyridinium) bromide |
| Canonical SMILES | C(#Cc1cc(C#CCCC[n+]2cccc(-c3ccccc3)c2)c(C#CCCC[n+]2cccc(-c3ccccc3)c2)cc1C#CCCC[n+]1cccc(-c2ccccc2)c1)CCC[n+]1cccc(-c2ccccc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9GZZ6 | CHRNA10 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL;BindingDB |
| Q9UGM1 | CHRNA9 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | IC50 | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | IC50 | ChEMBL;BindingDB |