Molecule Details
| InChIKey | JYRRJDFICVOODX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate |
| Canonical SMILES | C#Cc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OCCCOC(=O)c3ncn4c3CN(C)C(=O)c3cc(C#C)ccc3-4)ncn1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL;BindingDB |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | Ki | ChEMBL;BindingDB |