Molecule Details
| InChIKey | QBLMRKIWHODMAB-FRNOIQALSA-N |
|---|---|
| Compound Name | US9783573, Example 37 |
| Canonical SMILES | CN[C@@H](C)C(=O)N[C@H](C(=O)[C@@H]1CC(NC(=O)[C@@H](CCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)Nc2ccc3c(c2)CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@H](C(=O)NC2CCCc4ccccc42)C3)CN1C(=O)NC1CCCc2ccccc21)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13489 | BIRC3 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 7.0 | IC50 | ChEMBL;BindingDB |
| P98170 | XIAP | Homo sapiens | Human | PF00653 PF21290 PF13920 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q13490 | BIRC2 | Homo sapiens | Human | PF00653 PF00619 PF21290 PF13920 | 6.5 | IC50 | ChEMBL |