Molecule Details
| InChIKey | IZOQLNVGRPSGOU-MDWZMJQESA-N |
|---|---|
| Compound Name | (E)-N-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)but-2-enamide |
| Canonical SMILES | Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)/C=C/CN(C)C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.26 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.3 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |