Molecule Details
| InChIKey | KFUADVZPCULIED-KWMCUTETSA-N |
|---|---|
| Compound Name | (S)-((R)-3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methoxy-phenyl)-phosphinic acid 2-fluoro-ethyl ester |
| Canonical SMILES | COc1ccc([P@@](=O)(OCCF)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.23 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.0 | Ki | BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.0 | Ki | BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.1 | Ki | ChEMBL;BindingDB |
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 6.7 | IC50 | BindingDB |
| P15514 | AREG | Homo sapiens | Human | — | 6.3 | IC50 | BindingDB |