Molecule Details
| InChIKey | YNAOPYZDLMBFOU-ZDUSSCGKSA-N |
|---|---|
| Compound Name | 4-amino-6-[[(1S)-1-[6-fluoro-4-(3-hydroxyazetidin-1-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile |
| Canonical SMILES | C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(N2CC(O)C2)c1-c1ccccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.3 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.5 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 6.3 | IC50 | ChEMBL;BindingDB |