Molecule Details
| InChIKey | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Iloperidone |
| Canonical SMILES | COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.69 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04946 |
|---|---|
| Drug Name | Iloperidone |
| CAS Number | 133454-47-4 |
| Groups | approved investigational |
| ATC Codes | N05AX14 |
| Description | Iloperidone 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 |