Molecule Details
| InChIKey | OXUTXRZFYPFZEZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-Methyl-8-(1-methyl-1H-[1,2,4]triazol-3-ylmethylsulfanyl)-5-thiazol-2-yl-3,4-dihydro-2H-naphthalen-1-one |
| Canonical SMILES | CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.9 |
| 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 | 9.0 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | Ki | ChEMBL;BindingDB |