Molecule Details
| InChIKey | IPGPPSLCUMESRR-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[(2,2-diphenyl-1,3-dioxan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine |
| Canonical SMILES | COc1ccccc1OCCNCC1CCOC(c2ccccc2)(c2ccccc2)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.38 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |