Molecule Details
| InChIKey | PGGCRGAETLNAJC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione |
| Canonical SMILES | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 9.4 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.7 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |