Molecule Details
| InChIKey | NBSUFHMNXYTKLN-JTQLQIEISA-N |
|---|---|
| Compound Name | 2,4-diamino-6-[[(1S)-1-[5-chloro-3-(2-ethoxyethyl)-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile |
| Canonical SMILES | CCOCCn1c([C@H](C)Nc2nc(N)nc(N)c2C#N)nc2cccc(Cl)c2c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| 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 | 8.5 | IC50 | ChEMBL;BindingDB |
| O00459 | PIK3R2 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.9 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 6.4 | IC50 | ChEMBL;BindingDB |