Molecule Details
InChIKeyXMXHEBAFVSFQEX-UHFFFAOYSA-N
Compound NameIloperidone
Canonical SMILESCOc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)17
Pfam Stratification Cross-Family
Avg pChEMBL7.69
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04946
Drug NameIloperidone
CAS Number133454-47-4
Groups approved investigational
ATC Codes N05AX14
DescriptionIloperidone is a benzisoxazole [A263557] and an atypical antipsychotic agent that was first approved by the FDA on May 6, 2009.[A3024] It is considered to be a second-generation antipsychotic drug [A263552] with multiple receptor binding profile, although it shows high affinity towards 5-HT<sub>2A</...

Categories: Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Agents that produce hypertension Antidepressive Agents Antipsychotic Agents Antipsychotic Agents (Second Generation [Atypical]) Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dopamine Antagonists Dopamine D2 Receptor Antagonists Highest Risk QTc-Prolonging Agents Histamine Antagonists Histamine H1 Antagonists Hyperglycemia-Associated Agents Nervous System Neurotoxic agents Psycholeptics Psychotropic Drugs QTc Prolonging Agents Schizophrenia 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 Antagonists Tranquilizing Agents
Cross-references: BindingDB: 50034043 ChEBI: 65173 CHEMBL14376 ChemSpider: 64459 D02666 PharmGKB: PA161199368 PubChem:71360 PubChem:175426913 RxCUI: 73178 Wikipedia: Iloperidone ZINC: ZINC000001548097
Target Activities (17)
Target Gene Organism Category Pfam pChEMBL Type Source
P28223 HTR2A Homo sapiens Human PF00001 9.7 Ki BindingDB
P35348 ADRA1A Homo sapiens Human PF00001 9.5 Ki BindingDB
P21917 DRD4 Homo sapiens Human PF00001 8.1 Ki BindingDB
P35462 DRD3 Homo sapiens Human PF00001 8.0 Ki BindingDB
P35367 HRH1 Homo sapiens Human PF00001 7.9 Ki BindingDB
P14416 DRD2 Homo sapiens Human PF00001 7.9 Ki ChEMBL;BindingDB
P28221 HTR1D Homo sapiens Human PF00001 7.8 Ki BindingDB
P18825 ADRA2C Homo sapiens Human PF00001 7.8 Ki BindingDB
P08913 ADRA2A Homo sapiens Human PF00001 7.7 Ki BindingDB
P28335 HTR2C Homo sapiens Human PF00001 7.6 Ki BindingDB
P08908 HTR1A Homo sapiens Human PF00001 7.5 Ki BindingDB
P50406 HTR6 Homo sapiens Human PF00001 7.2 Ki BindingDB
Q99720 SIGMAR1 Homo sapiens Human PF04622 7.2 IC50 ChEMBL;BindingDB
P34969 HTR7 Homo sapiens Human PF00001 7.0 Ki BindingDB
P18089 ADRA2B Homo sapiens Human PF00001 6.8 Ki BindingDB
P21728 DRD1 Homo sapiens Human PF00001 6.7 Ki BindingDB
P21918 DRD5 Homo sapiens Human PF00001 6.5 Ki BindingDB
DrugBank Target Actions (19)
Target Gene Target Name Action Type
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 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
P21918 DRD5 D(1B) dopamine receptor 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
P50406 HTR6 5-hydroxytryptamine receptor 6 antagonist targets