Molecule Details
| InChIKey | NZOONKHCNQFYCI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Quiflapon |
| Canonical SMILES | CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.39 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB20376 |
|---|---|
| Drug Name | Quiflapon |
| CAS Number | 136668-42-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Quiflapon is a small molecule drug. The usage of the INN stem '-flapon' in the name indicates that Quiflapon is a 5-lipoxygenase-activating protein (FLAP) inhibitor. Quiflapon has a monoisotopic molecular weight of 586.21 Da. |
Cross-references: BindingDB: 50029559 CHEMBL16596 PDB: 2CS ZINC: ZINC000001914818
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 9.3 | IC50 | ChEMBL;BindingDB |
| P20292 | ALOX5AP | Homo sapiens | Human | PF01124 | 8.7 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 8.2 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 8.0 | IC50 | ChEMBL;BindingDB |
| P09917 | ALOX5 | Homo sapiens | Human | PF00305 PF01477 | 7.8 | IC50 | ChEMBL;BindingDB |