Molecule Details
| InChIKey | KTBIQCRMHWZGGG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-8-(4-nitrophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane |
| Canonical SMILES | COc1ccccc1N1CCN(CC2COC3(CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)O2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |