Molecule Details
| InChIKey | JIMLOXBHGGUDPE-XDHOZWIPSA-N |
|---|---|
| Compound Name | 3-[[(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid |
| Canonical SMILES | N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.2 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35236 | PTPN7 | Homo sapiens | Human | PF00102 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q05209 | PTPN12 | Homo sapiens | Human | PF00102 | 6.2 | IC50 | ChEMBL |
| Q9Y6K1 | DNMT3A | Homo sapiens | Human | PF17980 PF00145 PF22855 PF21255 PF00855 | 6.2 | IC50 | BindingDB |
| Q9Y2R2 | PTPN22 | Homo sapiens | Human | PF00102 | 6.0 | IC50 | ChEMBL;BindingDB |