Molecule Details
| InChIKey | POIIDLJXIAHDFT-UHFFFAOYSA-O |
|---|---|
| Compound Name | [1-[6-[3-[6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]propylamino]hexyl]piperidin-4-yl]methyl N-[2-(3-chloro-4-fluorophenyl)-4-fluorophenyl]carbamate |
| Canonical SMILES | CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.27 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL |