Molecule Details
| InChIKey | JEYQBANFJYIELI-KRWDZBQOSA-N |
|---|---|
| Compound Name | US11447497, Example 2 |
| Canonical SMILES | O=C(O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1=O)C(=O)COc1c(F)c(F)cc(F)c1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 7.5 | IC50 | ChEMBL;BindingDB |
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 7.5 | IC50 | ChEMBL;BindingDB |
| P55211 | CASP9 | Homo sapiens | Human | PF00619 PF00656 | 7.4 | IC50 | ChEMBL;BindingDB |