Molecule Details
| InChIKey | BAODQHPEQZHMBP-ZLUOGFKFSA-N |
|---|---|
| Compound Name | US9605022, Example 9 |
| Canonical SMILES | CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)NC(=O)C[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)NCc1cc(F)c(O)c(F)c1)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.33 |
| 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 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q13490 | BIRC2 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 8.6 | IC50 | ChEMBL |
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.9 | IC50 | ChEMBL;BindingDB |