Molecule Details
| InChIKey | DGBIGWXXNGSACT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Clonazepam |
| Canonical SMILES | O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.04 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01068 |
|---|---|
| Drug Name | Clonazepam |
| CAS Number | 1622-61-3 |
| Groups | approved illicit investigational |
| ATC Codes | N03AE01 |
| Description | A benzodiazepine used to treat various seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop.[FDA Label][L5572,F3763,F3787,F3796] The agent has also been indicated for treating panic disorder.[FDA Label][A175438,L5572,F3763,F37... |
Categories: Anticonvulsants Benzazepines Benzodiazepines and benzodiazepine derivatives Benzodiazepinones Central Nervous System Agents Central Nervous System Depressants 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 Drugs that are Mainly Renally Excreted GABA Agents GABA Modulators Heterocyclic Compounds, Fused-Ring Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Nervous System
Cross-references: BindingDB: 50019213 ChEBI: 3756 CHEMBL452 ChemSpider: 2700 Drugs Product Database (DPD): 2192 D00280 PharmGKB: PA449050 PubChem:2802 PubChem:46507677 RxCUI: 2598 Therapeutic Targets Database: DAP000259 Wikipedia: Clonazepam ZINC: ZINC000003813003
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| 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 |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 9.1 | Ki | ChEMBL |
| Q16445 | GABRA6 | 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 |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 8.9 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 8.9 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11245 | P11245 | Arylamine N-acetyltransferase 2 | substrate | enzymes |
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | partial agonist | targets |
| P14867 | GABRA1 | GABA(A) Receptor Benzodiazepine Binding Site | positive allosteric modulator | targets |