Molecule Details
| InChIKey | KUZMKJHBJRIPSL-VWLOTQADSA-N |
|---|---|
| Compound Name | (2S)-3-[4-[3-(cyclopropylcarbamoylamino)phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid |
| Canonical SMILES | Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NC4CC4)c3)cc2)C(=O)O)c(C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.6 | Ki | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.6 | Ki | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 6.9 | Ki | ChEMBL;BindingDB |
| P02768 | ALB | Homo sapiens | Human | PF00273 | 6.1 | Kd | ChEMBL;BindingDB |