Molecule Details
| InChIKey | IGCAUFKCIHSDQS-MPQUPPDSSA-N |
|---|---|
| Compound Name | (18R,21S)-18-(benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-3,10,19-trioxo-2,5,8,11,20-pentazatetracyclo[21.2.2.25,8.112,16]triaconta-1(26),12,14,16(28),23(27),24-hexaene-21-carboxamide |
| Canonical SMILES | N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3cccc(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 | 6.79 |
| 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 | 8.1 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 6.9 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.4 | Ki | ChEMBL;BindingDB |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 6.4 | Ki | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.2 | Ki | ChEMBL;BindingDB |