Molecule Details
| InChIKey | XFUAEWGHLXLENC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-Tert-butyl-2-(4-but-1-ynylphenyl)-1,3-dithiane |
| Canonical SMILES | CCC#Cc1ccc(C2SCC(C(C)(C)C)CS2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.16 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00591 | GABRP | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| O14764 | GABRD | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| Q8N1C3 | GABRG1 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| Q9UN88 | GABRQ | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |