Molecule Details
| InChIKey | VAJLZGPUVKNCRO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(5-Methyl-isoxazol-3-yl)-6-(3-methyl-3H-[1,2,3]triazol-4-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine |
| Canonical SMILES | Cc1cc(-c2nnc3c4ccccc4c(OCc4cnnn4C)nn23)no1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 8.4 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Ki | ChEMBL;BindingDB |