Molecule Details
| InChIKey | RKUNGXOSUGLQJY-SFHVURJKSA-N |
|---|---|
| Compound Name | 3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-[(4-iodo-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide |
| Canonical SMILES | CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(I)ccn3)cc2)c(C(N)=O)n1N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.96 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.0 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 6.7 | IC50 | BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.3 | IC50 | BindingDB |