Molecule Details
| InChIKey | OFBIFZUFASYYRE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Flumazenil |
| Canonical SMILES | CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.76 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01205 |
|---|---|
| Drug Name | Flumazenil |
| CAS Number | 78755-81-4 |
| Groups | approved investigational |
| ATC Codes | V03AB25 |
| Description | Fumazenil is an imidazobenzodiazepine derivative and a potent benzodiazepine receptor antagonist that competitively inhibits the activity at the benzodiazepine recognition site on the GABA/benzodiazepine receptor complex, thereby reversing the effects of benzodiazepine on the central nervous system. |
Categories: Antidotes Benzazepines Benzodiazepine Antagonist Benzodiazepinones Compounds used in a research, industrial, or household setting Drugs that are Mainly Renally Excreted GABA Agents GABA Modulators Heterocyclic Compounds, Fused-Ring Miscellaneous Central Nervous System Agents Neurotransmitter Agents Protective Agents
Cross-references: BindingDB: 26263 ChEBI: 5103 CHEMBL407 ChemSpider: 3256 Drugs Product Database (DPD): 1227 C07825 D00697 PDB: FYP PharmGKB: PA449659 PubChem:3373 PubChem:46507438 RxCUI: 4457 Therapeutic Targets Database: DAP000685 Wikipedia: Flumazenil ZINC: ZINC000000001464
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 9.2 | Ki | ChEMBL;BindingDB |
| O00591 | GABRP | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| O14764 | GABRD | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL;BindingDB |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| Q8N1C3 | GABRG1 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| Q9UN88 | GABRQ | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL;BindingDB |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | Ki | ChEMBL;BindingDB |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL;BindingDB |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P34903 | GABRA3 | Gamma-aminobutyric acid receptor subunit alpha-3 | allosteric modulator | targets |
| P47869 | GABRA2 | Gamma-aminobutyric acid receptor subunit alpha-2 | allosteric modulator | targets |
| Q99928 | GABRG3 | Gamma-aminobutyric acid receptor subunit gamma-3 | allosteric modulator | targets |
| P14867 | GABRA1 | Gamma-aminobutyric acid receptor subunit alpha-1 | antagonist | targets |
| P18507 | GABRG2 | Gamma-aminobutyric acid receptor subunit gamma-2 | antagonist | targets |
| P30536 | TSPO | Translocator protein | antagonist | targets |
| P31644 | GABRA5 | Gamma-aminobutyric acid receptor subunit alpha-5 | antagonist | targets |
| P14867 | GABRA1 | GABA(A) Receptor | positive allosteric modulator | targets |