Molecule Details
| InChIKey | VQAWSSJLGHVFHE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiophen-2-ylsulfanyl)-6,7-dihydro-5H-benzo[c]thiophen-4-one |
| Canonical SMILES | CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3cc[nH]n3)c2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.1 |
| 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 | 8.6 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | Ki | ChEMBL;BindingDB |