Molecule Details
| InChIKey | MLVTZWQEWUGCSC-IOLBBIBUSA-N |
|---|---|
| Compound Name | (21S,24R)-24-(benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-4,12,23-trioxo-3,13,22-triazatetracyclo[24.3.1.16,10.115,19]dotriaconta-1(29),6(32),7,9,15,17,19(31),26(30),27-nonaene-21-carboxamide |
| Canonical SMILES | N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3cccc(c3)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 | 7.66 |
| 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 | 9.0 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 7.8 | Ki | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.6 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.4 | Ki | ChEMBL;BindingDB |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 6.7 | Ki | ChEMBL;BindingDB |