Molecule Details
| InChIKey | QPBFLOWZPFHTHE-ADVKVLRRSA-N |
|---|---|
| Compound Name | benzyl N-[(2S)-1-oxo-3,3-diphenyl-1-[(2S)-2-[1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexylcarbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamate |
| Canonical SMILES | CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 10.4 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.9 | Ki | ChEMBL;BindingDB |
| P08311 | CTSG | Homo sapiens | Human | PF00089 | 7.8 | Ki | ChEMBL;BindingDB |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 7.6 | Ki | ChEMBL;BindingDB |
| P06870 | KLK1 | Homo sapiens | Human | PF00089 | 6.8 | Ki | ChEMBL;BindingDB |
| P00749 | PLAU | Homo sapiens | Human | PF00051 PF00089 | 6.3 | Ki | ChEMBL;BindingDB |