Molecule Details
| InChIKey | VUYWDRJRXVAGSK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[2-[3-[4-[(4-Methylpiperazin-1-yl)methyl]phenyl]isoquinolin-8-yl]ethynyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine |
| Canonical SMILES | CC(C)n1nc(C#Cc2cccc3cc(-c4ccc(CN5CCN(C)CC5)cc4)ncc23)c2c(N)ncnc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.84 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.3 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 6.6 | IC50 | ChEMBL |