Molecule Details
| InChIKey | MXSRCGHETGMNGI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[4-[3-[2-(tert-butylamino)ethylamino]-6-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one |
| Canonical SMILES | CC(C)(C)NCCNc1ccc(-c2nc(C(F)(F)F)no2)nc1C1CCN(c2ncnc3c2C(C)(C)C(=O)N3)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.27 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21817 | RYR1 | Homo sapiens | Human | PF08709 PF00520 PF02815 PF08454 PF06459 PF01365 PF21119 PF02026 PF00622 | 9.4 | IC50 | BindingDB |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 9.4 | IC50 | ChEMBL;BindingDB |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 9.0 | IC50 | ChEMBL;BindingDB |