Molecule Details
| InChIKey | DKGZKTPJOSAWFA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Spiperone |
| Canonical SMILES | O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.24 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17056 |
|---|---|
| Drug Name | Spiperone |
| CAS Number | 749-02-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Spiperone is a dopamine antagonist that binds dopamine and serotonin receptors.[A253142] |
Categories: Antipsychotic Agents Butyrophenones Central Nervous System Agents Central Nervous System Depressants Dopamine Agents Dopamine Antagonists Ketones Neurotransmitter Agents Psychotropic Drugs Spiperone Spiro Compounds Tranquilizing Agents
Cross-references: BindingDB: 21397 ChEBI: 9233 CHEMBL267930 ChemSpider: 5075 PDB: SIP Wikipedia: Spiperone ZINC: ZINC000000643233
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 9.8 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 9.5 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 9.3 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P30939 | HTR1F | Homo sapiens | Human | PF00001 | 8.4 | Ki | BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.1 | Ki | BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
| P35498 | SCN1A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q99250 | SCN2A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.2 | IC50 | ChEMBL |
| Q9NY46 | SCN3A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.2 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.0 | IC50 | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| 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 | inhibitor | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inhibitor | targets |
| P34969 | HTR7 | 5-hydroxytryptamine receptor 7 | inhibitor | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | inhibitor | targets |
| P50406 | HTR6 | 5-hydroxytryptamine receptor 6 | inhibitor | targets |