Molecule Details
InChIKeyMUGXRYIUWFITCP-PGRDOPGGSA-N
Canonical SMILESCc1ncc(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 pChEMBL8.77
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11951
Drug NameLemborexant
CAS Number1369764-02-2
Groups approved investigational
ATC Codes N05CJ02
DescriptionLemborexant 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)
Target Gene Organism Category Pfam pChEMBL Type Source
O43614 HCRTR2 Homo sapiens Human PF00001 PF03827 9.3 Ki ChEMBL;BindingDB
O43613 HCRTR1 Homo sapiens Human PF00001 8.2 Ki ChEMBL;BindingDB
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