Molecule Details
| InChIKey | SILHYVDKGHXGBL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Gemilukast |
| Canonical SMILES | Cc1c(F)cccc1CCCCOc1ccc(C#Cc2ccc(F)c3c(CCCC(=O)O)c(C)n(CCCC(=O)O)c23)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.18 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19882 |
|---|---|
| Drug Name | Gemilukast |
| CAS Number | 1232861-58-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Gemilukast is a small molecule drug. The usage of the INN stem '-lukast' in the name indicates that Gemilukast is a leukotriene receptor antagonist. Gemilukast is under investigation in clinical trial NCT01536041 (A Placebo and Active Controlled Study of ONO-6950 in Asthmatic Patients). Gemilukast h... |
Categories: Acids, Acyclic Fatty Acids Fatty Acids, Volatile Heterocyclic Compounds, Fused-Ring Lipids
Cross-references: BindingDB: 50104921 CHEMBL3597634 ZINC: ZINC000114181311