Molecule Details
| InChIKey | XGKILEKRCLGRHL-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[5-[4,6-diamino-1-(2,2-dimethylbutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-yl]acetamide |
| Canonical SMILES | CCC(C)(C)Cn1nc(-c2ccc3oc(NC(C)=O)nc3c2)c2c(N)nc(N)nc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q8N122 | RPTOR | Homo sapiens | Human | PF02985 PF14538 PF00400 | 9.2 | IC50 | ChEMBL |
| Q9BVC4 | MLST8 | Homo sapiens | Human | PF00400 | 8.7 | IC50 | ChEMBL |
| Q6R327 | RICTOR | Homo sapiens | Human | PF14663 PF14666 PF14664 PF14665 PF14668 | 8.2 | IC50 | ChEMBL |
| Q9BPZ7 | MAPKAP1 | Homo sapiens | Human | PF16978 PF25322 PF05422 PF16979 | 8.2 | IC50 | ChEMBL |