Molecule Details
| InChIKey | UPFBONOEYAFXQG-QPPIDDCLSA-N |
|---|---|
| Compound Name | (12S,15R)-15-(benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-3,14,24-trioxo-1,4,13,23,26-pentazatetracyclo[24.2.2.16,10.117,21]dotriaconta-6,8,10(32),17(31),18,20-hexaene-12-carboxamide |
| Canonical SMILES | N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)CN3CCN(CC3)CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 8.3 | Ki | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 8.0 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.6 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 7.5 | Ki | ChEMBL;BindingDB |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 7.3 | Ki | ChEMBL;BindingDB |