Molecule Details
InChIKeyVSWBSWWIRNCQIJ-UHFFFAOYSA-N
Compound Name5-Chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo(2,3:6,7)oxepino(4,5-c)pyrrole
Canonical SMILESCN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)23
Pfam Stratification Cross-Family
Avg pChEMBL8.27
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06216
Drug NameAsenapine
CAS Number65576-45-6
Groups approved investigational
ATC Codes N05AH05
DescriptionDeveloped by Schering-Plough after its merger with Organon International, asenapine is a sublingually administered, atypical antipsychotic for treatment of schizophrenia and acute mania associated with bipolar disorder. Asenapine also belongs to the dibenzo-oxepino pyrrole class. It is also for seve...

Categories: Acid Reducers Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Agents that produce hypertension Antidepressive Agents Antipsychotic Agents Antipsychotic Agents (Second Generation [Atypical]) Benzocycloheptenes Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Diazepines, Oxazepines, Thiazepines and Oxepines Dopamine Antagonists Dopamine D2 Receptor Antagonists Heterocyclic Compounds, Fused-Ring Highest Risk QTc-Prolonging Agents Histamine Antagonists Histamine H1 Antagonists Histamine H2 Antagonists Hyperglycemia-Associated Agents Nervous System Neurotoxic agents Psycholeptics Psychotropic Drugs QTc Prolonging Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Antagonists Serotonin 5-HT1A Receptor Antagonists Serotonin 5-HT2 Receptor Antagonists Serotonin 5-HT2A Receptor Antagonists Serotonin 5-HT2C Receptor Antagonists Serotonin Agents Serotonin Receptor Agonists Serotonin Receptor Antagonists Tranquilizing Agents UGT1A4 substrates
Cross-references: ChEBI: 71255 CHEMBL3187365 ChemSpider: 8079624 Drugs Product Database (DPD): 21015 D02995 PubChem:11954293 PubChem:175427062 RxCUI: 784649 Wikipedia: Asenapine ZINC: ZINC000000002299
Target Activities (23)
Target Gene Organism Category Pfam pChEMBL Type Source
P41595 HTR2B Homo sapiens Human PF00001 9.7 Ki ChEMBL
P50406 HTR6 Homo sapiens Human PF00001 9.6 Ki ChEMBL
P18089 ADRA2B Homo sapiens Human PF00001 9.3 Ki BindingDB
P28335 HTR2C Homo sapiens Human PF00001 9.1 Ki ChEMBL;BindingDB
P28223 HTR2A Homo sapiens Human PF00001 9.1 Ki ChEMBL;BindingDB
P35367 HRH1 Homo sapiens Human PF00001 9.0 Ki ChEMBL;BindingDB
P35348 ADRA1A Homo sapiens Human PF00001 8.9 Ki ChEMBL;BindingDB
P25100 ADRA1D Homo sapiens Human PF00001 8.9 Ki ChEMBL
P35368 ADRA1B Homo sapiens Human PF00001 8.9 Ki ChEMBL
P14416 DRD2 Homo sapiens Human PF00001 8.6 Ki ChEMBL;BindingDB
P28222 HTR1B Homo sapiens Human PF00001 8.4 Ki BindingDB
P35462 DRD3 Homo sapiens Human PF00001 8.4 Ki ChEMBL;BindingDB
P21917 DRD4 Homo sapiens Human PF00001 8.2 Ki ChEMBL;BindingDB
P25021 HRH2 Homo sapiens Human PF00001 8.2 Ki ChEMBL
P28221 HTR1D Homo sapiens Human PF00001 8.1 Ki BindingDB
P21728 DRD1 Homo sapiens Human PF00001 8.1 Ki ChEMBL
P08913 ADRA2A Homo sapiens Human PF00001 8.0 Ki BindingDB
P28566 HTR1E Homo sapiens Human PF00001 8.0 Ki BindingDB
P08908 HTR1A Homo sapiens Human PF00001 7.9 Ki BindingDB
P18825 ADRA2C Homo sapiens Human PF00001 7.9 Ki BindingDB
P20366 TAC1 Homo sapiens Human PF02202 6.0 Ki BindingDB
P21731 TBXA2R Homo sapiens Human PF00001 6.0 Ki BindingDB
P31645 SLC6A4 Homo sapiens Human PF03491 PF00209 6.0 Ki BindingDB
DrugBank Target Actions (27)
Target Gene Target Name Action Type
P02763 P02763 alpha1-acid glycoprotein binder carriers
P02768 ALB Albumin binder carriers
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P22310 P22310 UDP-glucuronosyltransferase 1A4 substrate enzymes
P07550 ADRB2 Beta-2 adrenergic receptor antagonist targets
P08588 ADRB1 Beta-1 adrenergic receptor antagonist targets
P08908 HTR1A 5-hydroxytryptamine receptor 1A antagonist targets
P08913 ADRA2A Alpha-2A adrenergic receptor antagonist targets
P14416 DRD2 D(2) dopamine receptor antagonist targets
P18089 ADRA2B Alpha-2B adrenergic receptor antagonist targets
P18825 ADRA2C Alpha-2C adrenergic receptor antagonist targets
P21728 DRD1 D(1A) dopamine receptor antagonist targets
P21917 DRD4 D(4) dopamine receptor antagonist targets
P25021 HRH2 Histamine H2 receptor antagonist targets
P28222 HTR1B 5-hydroxytryptamine receptor 1B antagonist targets
P28223 HTR2A 5-hydroxytryptamine receptor 2A antagonist targets
P28335 HTR2C 5-hydroxytryptamine receptor 2C antagonist targets
P34969 HTR7 5-hydroxytryptamine receptor 7 antagonist targets
P35348 ADRA1A Alpha-1A adrenergic receptor antagonist targets
P35367 HRH1 Histamine H1 receptor antagonist targets
P35462 DRD3 D(3) dopamine receptor antagonist targets
P41595 HTR2B 5-hydroxytryptamine receptor 2B antagonist targets
P47898 HTR5A 5-hydroxytryptamine receptor 5A antagonist targets
P50406 HTR6 5-hydroxytryptamine receptor 6 antagonist targets