Molecule Details
| InChIKey | NFLKTKKJFVNGLH-KQODVJPSSA-N |
|---|---|
| Canonical SMILES | CC#CC(=O)N1CC[C@]2(C1)C[C@H](n1nc(-c3cn(Cc4cccc(C(F)(F)F)c4)nc3C)c(C(N)=O)c1N)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 8.7 | IC50 | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.8 | IC50 | ChEMBL;BindingDB |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 6.5 | IC50 | ChEMBL;BindingDB |