Molecule Details
| InChIKey | MDXDUERQAFAILI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 11-Methyl-4-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one |
| Canonical SMILES | CN1CCc2c(sc3ncn(CCN4CCN(c5ccccc5OCc5ccccc5)CC4)c(=O)c23)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.57 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL |