Molecule Details
| InChIKey | DOEPKHLCEFPBEX-QPPIDDCLSA-N |
|---|---|
| Compound Name | (20S,23R)-23-(benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-3,12,22-trioxo-2,6,9,13,21-pentazatetracyclo[23.2.2.26,9.114,18]dotriaconta-1(28),14,16,18(30),25(29),26-hexaene-20-carboxamide |
| Canonical SMILES | N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 8.3 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 7.6 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.6 | Ki | ChEMBL;BindingDB |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 6.1 | Ki | ChEMBL;BindingDB |