Molecule Details
| InChIKey | BVPWJMCABCPUQY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Clebopride |
| Canonical SMILES | COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13511 |
|---|---|
| Drug Name | Clebopride |
| CAS Number | 55905-53-8 |
| Groups | investigational |
| ATC Codes | A03FA06 |
| Description | nan |
Categories: Acids, Carbocyclic Alimentary Tract and Metabolism Amides Antiemetics Autonomic Agents Benzene Derivatives Benzoates Central Nervous System Agents Dopamine Antagonists Drugs for Functional Gastrointestinal Disorders Gastrointestinal Agents Peripheral Nervous System Agents Propulsives
Cross-references: BindingDB: 50132693 ChEBI: 92309 CHEMBL325109 ChemSpider: 2678 RxCUI: 21224 Wikipedia: Clebopride ZINC: ZINC000000608261
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.2 | IC50 | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 6.0 | IC50 | ChEMBL;BindingDB |