Molecule Details
| InChIKey | YLPFNSPUPARBLY-GWJPWWOOSA-N |
|---|---|
| Compound Name | (S)-1-[((2R,3S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-methyl]-2-oxo-3-phenylmethanesulfonylamino-piperidine-3-carboxylic acid ethyl ester |
| Canonical SMILES | CCOC(=O)[C@]1(NS(=O)(=O)Cc2ccccc2)CCCN(CC(=O)N[C@H]2CCCN(C(=N)N)[C@@H]2O)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.12 |
| 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 | 9.0 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 8.7 | IC50 | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 8.2 | IC50 | ChEMBL;BindingDB |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |