Molecule Details
| InChIKey | FPCCSQOGAWCVBH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ketanserin |
| Canonical SMILES | O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.38 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12465 |
|---|---|
| Drug Name | Ketanserin |
| CAS Number | 74050-98-9 |
| Groups | investigational |
| ATC Codes | C02KD01 |
| Description | Ketanserin has been investigated for the treatment of Septic Shock, Severe Sepsis, and Diabetic Foot Ulcer. |
Categories: Antidepressive Agents Antihypertensive Agents Antiplatelet agents Cardiovascular Agents Central Nervous System Depressants Hematologic Agents Heterocyclic Compounds, Fused-Ring Neurotransmitter Agents Piperidines Quinazolines Quinazolinones Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Receptor Antagonists
Cross-references: BindingDB: 21395 ChEBI: 6123 CHEMBL51 ChemSpider: 3690 C07464 PDB: UYX PubChem:3822 PubChem:347828704 RxCUI: 6131 Wikipedia: Ketanserin ZINC: ZINC000000537877
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 9.0 | IC50 | ChEMBL;BindingDB |
| P30939 | HTR1F | Homo sapiens | Human | PF00001 | 8.9 | Ki | BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.7 | IC50 | ChEMBL;BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.5 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| Q05940 | SLC18A2 | Homo sapiens | Human | PF07690 | 6.7 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.7 | Ki | BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inverse agonist | targets |