Molecule Details
| InChIKey | RDSACQWTXKSHJT-NSHDSACASA-N |
|---|---|
| Compound Name | Refametinib |
| Canonical SMILES | COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06309 |
|---|---|
| Drug Name | Refametinib |
| CAS Number | 923032-37-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Amides Amines Aniline Compounds Sulfones Sulfur Compounds
Cross-references: CHEMBL1236682 ChemSpider: 25058723 PDB: VRA ZINC: ZINC000039187987
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| Q86TW2 | ADCK1 | Homo sapiens | Human | PF03109 | 6.1 | Kd | ChEMBL |