Molecule Details
| InChIKey | HIBUHKNMTZCDMF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[2-(4-Isoquinolin-4-ylpiperazin-1-yl)ethyl]-11-methyl-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(c5cncc6ccccc56)CC4)c(=O)c23)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.9 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 8.0 | IC50 | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.4 | IC50 | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |