Molecule Details
| InChIKey | PPTYJKAXVCCBDU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Flunitrazepam |
| Canonical SMILES | CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.55 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01544 |
|---|---|
| Drug Name | Flunitrazepam |
| CAS Number | 1622-62-4 |
| Groups | approved illicit |
| ATC Codes | N05CD03 |
| Description | Flunitrazepam is a benzodiazepine with pharmacologic actions similar to those of diazepam that can cause anterograde amnesia. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of thi... |
Categories: Anti-Anxiety Agents Benzazepines Benzodiazepine hypnotics and sedatives Benzodiazepines and benzodiazepine derivatives Benzodiazepinones Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates GABA Agents GABA Modulators Heterocyclic Compounds, Fused-Ring Hypnotics and Sedatives Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Nervous System Neurotransmitter Agents Psycholeptics Psychotropic Drugs Tranquilizing Agents UGT1A1 Inhibitors UGT1A3 Inhibitors UGT2B7 Inhibitors
Cross-references: BindingDB: 25878 ChEBI: 31622 CHEMBL13280 ChemSpider: 3263 D01230 PharmGKB: PA164781320 PubChem:3380 PubChem:46504553 RxCUI: 4460 Therapeutic Targets Database: DAP000931 Wikipedia: Flunitrazepam ZINC: ZINC000003812994
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.7 | Ki | ChEMBL;BindingDB |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL;BindingDB |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 8.4 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | inhibitor | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | inhibitor | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P30536 | TSPO | Translocator protein | agonist | targets |
| P14867 | GABRA1 | GABA(A) Receptor Benzodiazepine Binding Site | ligand | targets |
| P14867 | GABRA1 | GABA(A) Receptor | positive allosteric modulator | targets |