Molecule Details
| InChIKey | GBBSUAFBMRNDJC-INIZCTEOSA-N |
|---|---|
| Compound Name | Eszopiclone |
| Canonical SMILES | CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.96 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00402 |
|---|---|
| Drug Name | Eszopiclone |
| CAS Number | 138729-47-2 |
| Groups | approved investigational |
| ATC Codes | N05CF04 |
| Description | Eszopiclone, marketed by Sepracor under the brand-name Lunesta, is a nonbenzodiazepine hypnotic drug used to treat insomnia. It is the active stereoisomer of zopiclone, belonging to the class of drugs known as _cyclopyrrolones_.[A179638,L6850] Cyclopyrrolone drugs demonstrate high efficacy and low t... |
Categories: Benzodiazepine hypnotics and sedatives Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted Hypnotics (Nonbenzodiazepine) Hypnotics and Sedatives Miscellaneous Anxiolytics Sedatives and Hypnotics Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Nervous System Photosensitizing Agents Piperazines Psycholeptics Pyrazines Pyridines Zopiclone and prodrugs
Cross-references: BindingDB: 50247998 ChEBI: 53760 CHEMBL1522 ChemSpider: 839530 Drugs Product Database (DPD): 22704 PharmGKB: PA162630444 PubChem:969472 PubChem:46505809 RxCUI: 461016 Therapeutic Targets Database: DAP000933 Wikipedia: Eszopiclone ZINC: ZINC000019632834
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Ki | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | Ki | ChEMBL |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P30536 | TSPO | Translocator protein | agonist | targets |
| P14867 | GABRA1 | Gamma-aminobutyric acid receptor subunit alpha-1 | modulator | targets |
| P31644 | GABRA5 | Gamma-aminobutyric acid receptor subunit alpha-5 | modulator | targets |
| P34903 | GABRA3 | Gamma-aminobutyric acid receptor subunit alpha-3 | modulator | targets |
| P47869 | GABRA2 | Gamma-aminobutyric acid receptor subunit alpha-2 | modulator | targets |
| P14867 | GABRA1 | GABA(A) Receptor | positive allosteric modulator | targets |