Molecule Details
| InChIKey | PTSHMCCZVCAMNJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Biphenyl-4-yl-(3-hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-phosphinic acid ethyl ester |
| Canonical SMILES | CCOP(=O)(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.33 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.5 | Ki | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.4 | Ki | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.0 | Ki | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.0 | pIC50 | TTD_MultiTarget |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 7.3 | Ki | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.8 | pIC50 | TTD_MultiTarget |