Molecule Details
| InChIKey | HMXWMMRCKSDFCV-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-(4-(methylsulfonyl)piperazin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide |
| Canonical SMILES | COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 8.5 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 8.3 | IC50 | ChEMBL;BindingDB |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 7.8 | pIC50 | TTD_MultiTarget |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 7.5 | pIC50 | TTD_MultiTarget |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.2 | IC50 | ChEMBL;BindingDB |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.2 | pIC50 | TTD_MultiTarget |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.1 | IC50 | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.1 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |