Molecule Details
| InChIKey | JMKWZXFWHSLFSK-WEVVVXLNSA-N |
|---|---|
| Compound Name | 3-[4-(2,4-Dichloro-phenylsulfanyl)-3-nitro-phenyl]-N-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-acrylamide |
| Canonical SMILES | O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)NCCCN1CCCC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 6.8 | IC50 | ChEMBL;BindingDB |
| P05107 | ITGB2 | Homo sapiens | Human | PF23105 PF08725 PF07965 PF00362 PF17205 | 6.8 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 6.8 | IC50 | ChEMBL;BindingDB |