Molecule Details
| InChIKey | FZGWDCDUMFWUEO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-Methyl-8-[(1-propylpiperidin-4-yl)methoxy]-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene |
| Canonical SMILES | CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.65 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 7.3 | IC50 | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL |