Molecule Details
| InChIKey | PDFLMEOJDBZIJL-PXJZQJOASA-N |
|---|---|
| Compound Name | (6R,7R)-3-(4-Carboxymethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-7-methoxy-7-(2-methoxy-benzoylamino)-8-oxo-5-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-methyl-benzyl ester |
| Canonical SMILES | COc1ccccc1C(=O)N[C@]1(OC)C(=O)N2C(C(=O)OCc3cccc(C)c3)=C(CSc3nncn3CC(=O)O)CO[C@@H]21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23946 | CMA1 | Homo sapiens | Human | PF00089 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q99895 | CTRC | Homo sapiens | Human | PF00089 | 6.8 | IC50 | ChEMBL;BindingDB |
| P08311 | CTSG | Homo sapiens | Human | PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.4 | IC50 | ChEMBL;BindingDB |