Molecule Details
| InChIKey | XGFAJSGBLMHBHK-MGBGTMOVSA-N |
|---|---|
| Compound Name | US10221163, Example 80 |
| Canonical SMILES | COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(S(=O)(=O)NC[C@H](CO)NC(=O)OCc3ccccc3)ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.85 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 10.3 | IC50 | BindingDB |
| Q2QC95 | blaoxa-10 | Klebsiella pneumoniae | Pathogen | PF00905 | 9.8 | IC50 | BindingDB |
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.8 | IC50 | BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 9.5 | IC50 | BindingDB |