Molecule Details
| InChIKey | JWCAOJUUMHNEDQ-DNAKYKBSSA-N |
|---|---|
| Canonical SMILES | C#Cc1ccc(C(=O)Nc2nc3cc(CN[C@@H](C)C(C)(C)C)ccc3n2[C@H]2C[C@@]3(CCN(C(=O)C=C)C3)C2)s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.87 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.8 | IC50 | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.4 | IC50 | ChEMBL;BindingDB |