Molecule Details
| InChIKey | LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
|---|---|
| Compound Name | Bretazenil |
| Canonical SMILES | CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21038 |
|---|---|
| Drug Name | Bretazenil |
| CAS Number | 84379-13-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Bretazenil is a small molecule drug. The usage of the INN stem '-nil' in the name indicates that Bretazenil is a benzodiazepine receptor antagonist/agonist. Bretazenil has a monoisotopic molecular weight of 417.07 Da. |
Categories: Anticonvulsants Benzazepines Benzodiazepines and benzodiazepine derivatives Central Nervous System Agents Central Nervous System Depressants Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50083908 CHEMBL366947 PDB: QMU ZINC: ZINC000000597316
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 9.5 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 9.3 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 9.3 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 9.3 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 9.2 | Ki | ChEMBL;BindingDB |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 7.9 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P30536 | TSPO | Translocator protein | modulator | targets |