Molecule Details
| InChIKey | GJURNFNFVYYRMJ-WQFGBWTFSA-N |
|---|---|
| Compound Name | US9603889, Example 43 |
| Canonical SMILES | CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(NC(=O)C2(CN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C)c3cccc(F)c3F)CC2)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.79 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P98170 | XIAP | Homo sapiens | Human | PF00653 PF21290 PF13920 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q13490 | BIRC2 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 6.8 | IC50 | ChEMBL |
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 6.7 | IC50 | ChEMBL;BindingDB |