Molecule Details
| InChIKey | CNFLHWVYIFARIM-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-Isopropylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6,7-dihydro-5H-benzo[c]thiophen-4-one |
| Canonical SMILES | CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.04 |
| 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 | 8.7 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 7.9 | Ki | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.7 | Ki | ChEMBL;BindingDB |