Molecule Details
| InChIKey | QWCRAEMEVRGPNT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Buspirone |
| Canonical SMILES | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00490 |
|---|---|
| Drug Name | Buspirone |
| CAS Number | 36505-84-7 |
| Groups | approved investigational |
| ATC Codes | N05BE01 |
| Description | Buspirone is a novel anxiolytic agent with a unique structure and a pharmacological profile. Belonging to the azaspirodecanedione drug class,[A180991] buspirone is a serotonin 5-HT<sub>1A</sub> receptor agonist that is not chemically or pharmacologically related to benzodiazepines, barbiturates, and... |
Categories: Agents that produce hypertension Antidepressive Agents Azaspirodecanedione Derivatives 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 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Substrates Dopamine Antagonists Dopamine D2 Receptor Antagonists Drugs that are Mainly Renally Excreted Miscellaneous Anxiolytics Sedatives and Hypnotics Nervous System Neurotransmitter Agents P-glycoprotein inhibitors Piperazines Psycholeptics Pyrimidines Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Spiro Compounds Tranquilizing Agents
Cross-references: BindingDB: 50001859 ChEBI: 3223 CHEMBL49 ChemSpider: 2383 Drugs Product Database (DPD): 1890 Guide to Pharmacology: 36 IUPHAR: 36 C06861 D07593 PDB: YLX PharmGKB: PA448689 PubChem:2477 PubChem:46508113 RxCUI: 1827 Therapeutic Targets Database: DAP000031 Wikipedia: Buspirone ZINC: ZINC000001530571
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.0 | Ki | BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.6 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.3 | Kd | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.2 | Kd | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.2 | Kd | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P14416 | DRD2 | D(2) dopamine receptor | antagonist | targets |
| P21917 | DRD4 | D(4) dopamine receptor | antagonist | targets |
| P35462 | DRD3 | D(3) dopamine receptor | antagonist | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | partial agonist | targets |
| P35348 | ADRA1A | Alpha-1 adrenergic receptors | partial agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |