Molecule Details
| InChIKey | YNMJTXBAOVVQJU-AVRDEDQJSA-N |
|---|---|
| Compound Name | 2-Amino-4-((2S,4S)-2-(6-fluoro-5-(2-methoxypyrimidin-5-yl)-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)-4-hydroxypyrrolidin-1-yl)-6-methylpyrimidine-5-carbonitrile |
| Canonical SMILES | COc1ncc(-c2c(F)ccc3nc([C@@H]4C[C@H](O)CN4c4nc(N)nc(C)c4C#N)n(-c4ccccc4)c(=O)c23)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| 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 | 8.2 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 7.0 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.7 | IC50 | ChEMBL;BindingDB |