Molecule Details
| InChIKey | JSFPZUBRLYUNHU-IBGZPJMESA-N |
|---|---|
| Compound Name | 4-amino-6-[[(1S)-1-[6-[3-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile |
| Canonical SMILES | Cc1csc2cc([C@H](C)Nc3ncnc(N)c3C#N)c(-c3cccc(CN4CCC(N(C)C)CC4)c3)c(=O)n12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 8.2 | IC50 | ChEMBL;BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 8.0 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.2 | IC50 | ChEMBL |