Molecule Details
| InChIKey | MXGYLPKHTGTZKG-UHFFFAOYSA-N |
|---|---|
| Compound Name | (3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenyl-phosphinic acid ethyl ester |
| Canonical SMILES | CCOP(=O)(c1ccccc1)N1Cc2ccccc2CC1C(=O)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.54 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 8.0 | Ki | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.9 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.9 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | Ki | ChEMBL;BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.4 | Ki | ChEMBL;BindingDB |
| Q13443 | ADAM9 | Homo sapiens | Human | PF08516 PF00200 PF01562 PF01421 | 6.4 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.7 | pIC50 | TTD_MultiTarget |