Molecule Details
| InChIKey | IENZWNOPOBXYDA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-(8-((9-Acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea |
| Canonical SMILES | CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49682 | CXCR3 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |