Molecule Details
| InChIKey | QBYZDDIMNITMSB-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a]phthalazine |
| Canonical SMILES | Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.67 |
| 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 | 9.1 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 8.4 | Ki | ChEMBL;BindingDB |