Molecule Details
| InChIKey | YQELKCVHKSQHTN-VPUSJEBWSA-N |
|---|---|
| Compound Name | 4-{2-[(S)-3-Cyclohexyl-2-((R)-2-hydroxycarbamoylmethyl-5-phenyl-pentanoylamino)-propionylamino]-ethyl}-benzenesulfonic acid |
| Canonical SMILES | O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(S(=O)(=O)O)cc1)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.72 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.2 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.1 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.6 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.0 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.6 | pIC50 | TTD_MultiTarget |