Molecule Details
| InChIKey | GRHSJPRDKRVXDK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-[(15-Bromo-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole |
| Canonical SMILES | Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)on1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.36 |
| 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 | 9.2 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | Ki | ChEMBL;BindingDB |