Molecule Details
| InChIKey | RKEWSXXUOLRFBX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pimavanserin |
| Canonical SMILES | CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.6 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05316 |
|---|---|
| Drug Name | Pimavanserin |
| CAS Number | 706779-91-1 |
| Groups | approved investigational |
| ATC Codes | N05AX17 |
| Description | Pimavanserin is an atypical antipsychotic indicated for the treatment of psychiatric disorders.[L48236] Although the exact mechanism of action is unknown, it is thought that pimavanserin interacts with the serotonin receptors, particularly the 5-HT<sub>2A</sub> and HT<sub>2C</sub> receptors.[L48236]... |
Categories: Amides Antidepressive Agents 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 CYP3A4 Substrates (strength unknown) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates Nervous System Neurotoxic agents Neurotransmitter Agents Psycholeptics Serotonin 5-HT2 Receptor Antagonists Serotonin Agents Serotonin Receptor Antagonists
Cross-references: BindingDB: 139370 ChEBI: 133017 CHEMBL2111101 ChemSpider: 8246736 PDB: A1L11 PubChem:10071196 PubChem:175426976 RxCUI: 1791685 Wikipedia: Pimavanserin ZINC: ZINC000016159083
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14598 | NCF1 | Homo sapiens | Human | PF16621 PF08944 PF00787 PF00018 | 8.6 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.4 | IC50 | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
DrugBank Target Actions (7)
| 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 |
| P51589 | CYP2J2 | Cytochrome P450 2J2 | substrate | enzymes |
| Q99720 | SIGMAR1 | Sigma non-opioid intracellular receptor 1 | binder | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inverse agonist | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | inverse agonist | targets |