Molecule Details
| InChIKey | HTKNWYDCBWYORK-HXUWFJFHSA-N |
|---|---|
| Compound Name | [(1R)-2-methyl-1-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propyl]phosphonic acid |
| Canonical SMILES | CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(N3CCCC3)cc2)cc1)P(=O)(O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.43 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.7 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.3 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.3 | pIC50 | TTD_MultiTarget |