Molecule Details
| InChIKey | ZMPZOWIAKRPTEQ-SFTDATJTSA-N |
|---|---|
| Compound Name | (6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid tetrahydro-pyran-4-yl ester |
| Canonical SMILES | O=C(NO)[C@H]1CC2(CC2)CN(C(=O)OC2CCOCC2)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.15 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14672 | ADAM10 | Homo sapiens | Human | PF21299 PF00200 PF13574 | 7.5 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.0 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.0 | pIC50 | TTD_MultiTarget |