Molecule Details
| InChIKey | QILRYFCEXLFIDS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5H)-one |
| Canonical SMILES | CC1(C)CC(=O)c2c(SCCO)sc(-c3nccs3)c2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.89 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL;BindingDB |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | Ki | ChEMBL;BindingDB |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | Ki | ChEMBL |