Molecule Details
| InChIKey | DVEXZJFMOKTQEZ-JYFOCSDGSA-N |
|---|---|
| Compound Name | U0126 |
| Canonical SMILES | N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17060 |
|---|---|
| Drug Name | U-0126 |
| CAS Number | 218601-62-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | U-0126 is a direct inhibitor of the mitogen-activated protein-kinase kinase family members, MEK-1 and MEK-2.[A253162] |
Categories: Alkadienes Alkenes Enzyme Inhibitors Hydrocarbons, Acyclic Polyenes
Cross-references: ChEBI: 90693 CHEMBL34704 ChemSpider: 2276356 PDB: 5BM ZINC: ZINC000100007148
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.6 | IC50 | ChEMBL |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.5 | IC50 | ChEMBL |