Molecule Details
| InChIKey | MUGXRYIUWFITCP-PGRDOPGGSA-N |
|---|---|
| Canonical SMILES | Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11951 |
|---|---|
| Drug Name | Lemborexant |
| CAS Number | 1369764-02-2 |
| Groups | approved investigational |
| ATC Codes | N05CJ02 |
| Description | Lemborexant is a novel dual orexin receptor antagonist used in the treatment of insomnia characterized by difficulties with sleep onset and/or sleep maintenance.[L10863] Recent research in the field of sleep disorders has revealed that insomnia is likely driven not by the inability of the brain to "... |
Categories: Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Hypnotics and Sedatives Nervous System Neurotransmitter Agents Orexin Receptor Antagonists P-glycoprotein substrates Psycholeptics Sleep Aids, Pharmaceutical Sleep Initiation and Maintenance Disorders
Cross-references: BindingDB: 50093793 CHEMBL3545367 ChemSpider: 34500836 Drugs Product Database (DPD): 23527 PDB: NRK PubChem:56944144 PubChem:347828277 RxCUI: 2272403 Wikipedia: Lemborexant ZINC: ZINC000118073503
Target Activities (2)
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| O43613 | HCRTR1 | Orexin/Hypocretin receptor type 1 | antagonist | targets |
| O43614 | HCRTR2 | Orexin receptor type 2 | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |