Molecule Details
| InChIKey | BJMXICGJKUALLN-SFHVURJKSA-N |
|---|---|
| Compound Name | 1-[(3S)-3-[4-amino-3-(2-methyl-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
| Canonical SMILES | C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3C)c3c(N)ncnc32)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.5 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 8.9 | IC50 | ChEMBL |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.8 | IC50 | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.0 | IC50 | ChEMBL |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.7 | IC50 | ChEMBL |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.1 | IC50 | ChEMBL |