Molecule Details
| InChIKey | AAOVKJBEBIDNHE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Diazepam |
| Canonical SMILES | CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.94 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00829 |
|---|---|
| Drug Name | Diazepam |
| CAS Number | 439-14-5 |
| Groups | approved illicit investigational vet_approved |
| ATC Codes | N05BA01 |
| Description | A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of gamma-aminobutyric acid activity. It is used in the treatment of severe anxiety disorders, as a hypnotic in the short-term man... |
Categories: Adjuvants, Anesthesia Anesthetics Anesthetics, General Anesthetics, Intravenous Anti-Anxiety Agents Anticonvulsants Autonomic Agents Benzazepines Benzodiazepine hypnotics and sedatives Benzodiazepines and benzodiazepine derivatives Benzodiazepinones Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C18 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted GABA Agents GABA Modulators Heterocyclic Compounds, Fused-Ring Hypnotics and Sedatives Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Nervous System P-glycoprotein substrates Peripheral Nervous System Agents Psycholeptics Psychotropic Drugs Tranquilizing Agents
Cross-references: BindingDB: 50000766 ChEBI: 49575 CHEMBL12 ChemSpider: 2908 Drugs Product Database (DPD): 9418 Guide to Pharmacology: 3364 IUPHAR: 3364 C06948 D00293 PDB: DZP PharmGKB: PA449283 PubChem:3016 PubChem:46505210 RxCUI: 3322 Therapeutic Targets Database: DNC000549 Wikipedia: Diazepam ZINC: ZINC000000006427
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00591 | GABRP | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| O14764 | GABRD | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| Q8N1C3 | GABRG1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| Q9UN88 | GABRQ | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | Ki | ChEMBL;BindingDB |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 7.9 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 7.9 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (16)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P33260 | CYP2C18 | Cytochrome P450 2C18 | 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 |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |