Molecule Details
| InChIKey | USFRNJSCBVCBFY-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[(2-{[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)cc2)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.68 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 8.8 | pIC50 | TTD_MultiTarget |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 8.8 | pIC50 | TTD_MultiTarget |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 8.8 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL |