Molecule Details
| InChIKey | UOPLAJAFYJNCFL-JOCHJYFZSA-N |
|---|---|
| Compound Name | N-((R)-1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethyl-phenyl]-pyridin-2-yl}-pyrrolidin-3-yl)-N-methyl-acetamide |
| Canonical SMILES | CC(=O)N(C)[C@@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| 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 |
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 7.0 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 7.0 | IC50 | ChEMBL;BindingDB |