Molecule Details
| InChIKey | PMXMIIMHBWHSKN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Paliperidone |
| Canonical SMILES | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 19 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.47 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01267 |
|---|---|
| Drug Name | Paliperidone |
| CAS Number | 144598-75-4 |
| Groups | approved investigational |
| ATC Codes | N05AX13 |
| Description | Paliperidone is the primary active metabolite of risperidone. The mechanism of action is unknown but it is likely to act via a similar pathway to risperidone. It has been proposed that the drug's therapeutic activity in schizophrenia is mediated through a combination of central dopamine Type 2 (D2) ... |
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 CYP3A5 Substrates Cytochrome P-450 Substrates Dopamine Agents Dopamine Antagonists Dopamine D2 Receptor Antagonists Drugs that are Mainly Renally Excreted Highest Risk QTc-Prolonging Agents Hyperglycemia-Associated Agents Isoxazoles Nervous System Neurotoxic agents Neurotransmitter Agents P-glycoprotein inhibitors P-glycoprotein substrates Psycholeptics Psychotropic Drugs Pyrimidines QTc Prolonging Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Antagonists Serotonin 5-HT1A Receptor Antagonists Serotonin 5-HT1D 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: 50252513 ChEBI: 83804 CHEMBL1621 ChemSpider: 103109 Drugs Product Database (DPD): 20163 D05339 PharmGKB: PA163518919 PubChem:115237 PubChem:46506296 RxCUI: 679314 Therapeutic Targets Database: DAP000847 Wikipedia: Paliperidone
Target Activities (19)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P20366 | TAC1 | Homo sapiens | Human | PF02202 | 6.0 | Ki | BindingDB |
| P21731 | TBXA2R | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (20)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P18825 | ADRA2C | Alpha-2C adrenergic receptor | agonist | 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 |
| P21728 | DRD1 | D(1A) dopamine receptor | antagonist | targets |
| P21917 | DRD4 | D(4) dopamine receptor | antagonist | targets |
| P28221 | HTR1D | 5-hydroxytryptamine receptor 1D | 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 |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | antagonist | targets |
| P35462 | DRD3 | D(3) dopamine receptor | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |