Molecule Details
| InChIKey | DLEWBCCCSUQVHV-RFGFGPHLSA-N |
|---|---|
| Compound Name | benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-[[2-phenyl-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]carbamate |
| Canonical SMILES | CC1(C)C2CC1[C@]1(C)OB(C(Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.44 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 10.7 | Ki | ChEMBL;BindingDB |
| P08311 | CTSG | Homo sapiens | Human | PF00089 | 9.7 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 8.9 | Ki | ChEMBL;BindingDB |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 8.3 | Ki | ChEMBL;BindingDB |