Molecule Details
| InChIKey | YTCSFWUXKXTEKH-YTKVTYSESA-N |
|---|---|
| Compound Name | (2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[(2R)-3-[(4-methoxyphenyl)methylamino]-2,5-dimethyloxolane-2-carbonyl]amino]propanoic acid |
| Canonical SMILES | COc1ccc(CNC2CC(C)O[C@@]2(C)C(=O)N[C@@H](Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.37 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.2 | IC50 | ChEMBL |
| P13612 | ITGA4 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 7.8 | IC50 | ChEMBL;BindingDB |
| P26010 | ITGB7 | Homo sapiens | Human | PF07974 PF08725 PF00362 PF17205 | 6.1 | IC50 | ChEMBL |