Molecule Details
| InChIKey | PODGAZYUFOSBKT-JXMROGBWSA-N |
|---|---|
| Compound Name | (E)-3-[4-[2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]sulfanyl-3-chlorophenyl]-1-morpholin-4-ylprop-2-en-1-one |
| Canonical SMILES | O=C(/C=C/c1ccc(Sc2ccccc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1)N1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.81 |
| 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 | 7.0 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 7.0 | IC50 | ChEMBL;BindingDB |
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 6.4 | IC50 | ChEMBL;BindingDB |