Molecule Details
| InChIKey | WEHCGVXGVWPFOC-PKNBQFBNSA-N |
|---|---|
| Compound Name | ({2-[2-Chloro-4-(3-morpholin-4-yl-3-oxo-propenyl)-phenylsulfanyl]-benzyl}-methyl-amino)-acetic acid ethyl ester |
| Canonical SMILES | CCOC(=O)CN(C)Cc1ccccc1Sc1ccc(/C=C/C(=O)N2CCOCC2)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05107 | ITGB2 | Homo sapiens | Human | PF23105 PF08725 PF07965 PF00362 PF17205 | 6.6 | IC50 | ChEMBL |
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 6.6 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 6.6 | IC50 | ChEMBL;BindingDB |