Molecule Details
| InChIKey | MCHOTIIDAJHLED-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide |
| Canonical SMILES | CCCN1CCC=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(C)c2)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.34 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 9.0 | IC50 | ChEMBL |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 8.3 | pIC50 | TTD_MultiTarget |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 8.3 | IC50 | ChEMBL;BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 8.2 | IC50 | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL |