Molecule Details
| InChIKey | NXFFJDQHYLNEJK-CYBMUJFWSA-N |
|---|---|
| Compound Name | Laropiprant |
| Canonical SMILES | CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11629 |
|---|---|
| Drug Name | Laropiprant |
| CAS Number | 571170-77-9 |
| Groups | approved withdrawn |
| ATC Codes | nan |
| Description | Laropiprant is an ingredient in the EMA-withdrawn product Pelzont. |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50205275 ChEBI: 135942 CHEMBL426559 ChemSpider: 8043333 PharmGKB: PA166129564 Wikipedia: Laropiprant ZINC: ZINC000003961849
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13258 | PTGDR | Homo sapiens | Human | PF00001 | 9.2 | IC50 | ChEMBL;BindingDB |
| P21731 | TBXA2R | Homo sapiens | Human | PF00001 | 8.0 | IC50 | ChEMBL;BindingDB |
| P43116 | PTGER2 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P30536 | TSPO | Homo sapiens | Human | PF03073 | 6.5 | Ki | ChEMBL |
| Q9Y5Y4 | PTGDR2 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| P43115 | PTGER3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04035 | HMGCR | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | inhibitor | targets |
| P21731 | TBXA2R | Thromboxane A2 receptor | inhibitor | targets |
| P43088 | PTGFR | Prostaglandin F2-alpha receptor | inhibitor | targets |
| P43116 | PTGER2 | Prostaglandin E2 receptor EP2 subtype | inhibitor | targets |
| P43119 | PTGIR | Prostacyclin receptor | inhibitor | targets |
| Q13258 | PTGDR | Prostaglandin D2 receptor | inhibitor | targets |
| Q9Y5Y4 | PTGDR2 | Prostaglandin D2 receptor 2 | inhibitor | targets |