Molecule Details
| InChIKey | URKOMYMAXPYINW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Quetiapine |
| Canonical SMILES | OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 27 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01224 |
|---|---|
| Drug Name | Quetiapine |
| CAS Number | 111974-69-7 |
| Groups | approved investigational |
| ATC Codes | N05AH04 |
| Description | Initially approved by the FDA in 1997, quetiapine is a second-generation atypical antipsychotic used in schizophrenia, major depression, and bipolar disorder.[L8546] Quetiapine demonstrates a high level of therapeutic efficacy and low risk of adverse effects during long-term treatment. It is well-to... |
Categories: Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Agents producing tachycardia Agents that produce hypertension Anticholinergic Agents Antidepressive Agents Antidepressive Agents Indicated for Depression Antipsychotic Agents Antipsychotic Agents (Second Generation [Atypical]) Azepines Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Substrates Diazepines, Oxazepines, Thiazepines and Oxepines Dibenzothiazepines Dopamine Antagonists Dopamine D2 Receptor Antagonists Drugs that are Mainly Renally Excreted Heterocyclic Compounds, Fused-Ring Histamine Antagonists Histamine H1 Antagonists Hyperglycemia-Associated Agents Hypotensive Agents Moderate Risk QTc-Prolonging Agents Muscarinic Antagonists Nervous System P-glycoprotein substrates 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 Agents Serotonin Receptor Antagonists Thiazepines Thiepins Tranquilizing Agents
Cross-references: BindingDB: 50095890 ChEBI: 8707 CHEMBL716 ChemSpider: 4827 Drugs Product Database (DPD): 11718 Guide to Pharmacology: 50 IUPHAR: 50 C07397 D08456 PharmGKB: PA451201 PubChem:5002 PubChem:46504800 RxCUI: 51272 Therapeutic Targets Database: DAP000001 Wikipedia: Quetiapine ZINC: ZINC000019632628
Target Activities (27)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.3 | pIC50 | TTD_MultiTarget |
| P07305 | H1-0 | Homo sapiens | Human | PF00538 | 8.0 | Ki | BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.5 | Ki | BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.0 | Ki | ChEMBL |
| 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 (31)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P24462 | CYP3A7 | Cytochrome P450 3A7 | binder | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | antagonist | targets |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | antagonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | 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 |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | antagonist | targets |
| P21728 | DRD1 | D(1A) dopamine receptor | antagonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | antagonist | targets |
| P35348 | ADRA1A | Alpha-1 adrenergic receptors | antagonist | targets |
| P35367 | HRH1 | Histamine H1 receptor | antagonist | targets |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | antagonist | targets |
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | ligand | targets |
| P08173 | CHRM4 | Muscarinic acetylcholine receptor M4 | ligand | targets |
| P08912 | CHRM5 | Muscarinic acetylcholine receptor M5 | ligand | targets |
| P21917 | DRD4 | D(4) dopamine receptor | ligand | targets |
| P21918 | DRD5 | D(1B) dopamine receptor | ligand | targets |
| P28221 | HTR1D | 5-hydroxytryptamine receptor 1D | ligand | targets |
| P28222 | HTR1B | 5-hydroxytryptamine receptor 1B | ligand | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | ligand | targets |
| P28566 | HTR1E | 5-hydroxytryptamine receptor 1E | ligand | targets |
| P34969 | HTR7 | 5-hydroxytryptamine receptor 7 | ligand | targets |
| P35462 | DRD3 | D(3) dopamine receptor | ligand | targets |
| P46098 | HTR3A | 5-hydroxytryptamine receptor 3A | ligand | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | partial agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |