Molecule Details
| InChIKey | ZAKVHDWXAFAMTH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[2-(3-Chlorophenyl)ethynyl]-6-hydroxy-2-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]-1-benzofuran-5-carboxylic acid |
| Canonical SMILES | CCCNC(=O)COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.32 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y2R2 | PTPN22 | Homo sapiens | Human | PF00102 | 6.8 | IC50 | ChEMBL;BindingDB |
| P24666 | ACP1 | Homo sapiens | Human | PF01451 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q12923 | PTPN13 | Homo sapiens | Human | PF09380 PF00373 PF09379 PF00595 PF16599 PF00102 | 6.4 | IC50 | ChEMBL;BindingDB |
| P23467 | PTPRB | Homo sapiens | Human | PF00041 PF18861 PF00102 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q06124 | PTPN11 | Homo sapiens | Human | PF00017 PF00102 | 6.2 | IC50 | ChEMBL;BindingDB |
| P43378 | PTPN9 | Homo sapiens | Human | PF00650 PF00102 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q05209 | PTPN12 | Homo sapiens | Human | PF00102 | 6.1 | IC50 | ChEMBL;BindingDB |
| P29350 | PTPN6 | Homo sapiens | Human | PF00017 PF00102 | 6.0 | IC50 | ChEMBL;BindingDB |