Molecule Details
| InChIKey | JLCBYDSLJHLQQB-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-Methyl-7-nitro-5-(2-nitro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one |
| Canonical SMILES | CN1C(=O)CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.96 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 9.3 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL;BindingDB |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | Ki | ChEMBL;BindingDB |