Molecule Details
| InChIKey | DTNKZZXZAPCYPT-DEOSSOPVSA-N |
|---|---|
| Compound Name | (S)-3-(4-{4-[(1H-Benzoimidazol-2-ylamino)-methyl]-piperidin-1-yl}-5-methyl-2-oxo-2H-pyrimidin-1-yl)-2-benzyloxycarbonylamino-propionic acid |
| Canonical SMILES | Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(=O)nc1N1CCC(CNc2nc3ccccc3[nH]2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.44 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.9 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.4 | IC50 | ChEMBL |
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.0 | IC50 | ChEMBL;BindingDB |