Molecule Details
| InChIKey | CKESRBMHGGWAAT-HNNXBMFYSA-N |
|---|---|
| Compound Name | 4-[8-chloro-2-[(S)-cyclopropyl-[(2,6-diamino-5-cyanopyrimidin-4-yl)amino]methyl]-6-fluoro-4-oxoquinazolin-3-yl]butanamide |
| Canonical SMILES | N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(Cl)cc(F)cc2c(=O)n1CCCC(N)=O)C1CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.62 |
| 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 | 8.7 | IC50 | ChEMBL;BindingDB |
| O00459 | PIK3R2 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 8.1 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 6.1 | IC50 | ChEMBL;BindingDB |