Molecule Details
| InChIKey | YSURNJBIVZXADU-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3,6-Dinitro-9H-beta-carboline |
| Canonical SMILES | O=[N+]([O-])c1ccc2[nH]c3cnc([N+](=O)[O-])cc3c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.13 |
| 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 | 7.9 | 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 | 7.1 | Ki | ChEMBL;BindingDB |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | Ki | ChEMBL;BindingDB |