Molecule Details
| InChIKey | RURWNESJHWLUMA-BHPJHESSSA-N |
|---|---|
| Canonical SMILES | [C]Oc1ccc([C][C@@H]2[N]C(=O)[C@H]([C]C([O])=O)[N]C(=O)[C][N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C]c3ccc([O])cc3)[N]C(=O)[C][N]C(=O)[C@@H]([N])[C][C][C]N=C([N])[N]C(=O)[C@H]([N])C3([C][C][C][C][C]3)SS[C][C@@H](C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C([O])=O)[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.52 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.5 | IC50 | BindingDB |
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 7.5 | IC50 | BindingDB |
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.5 | IC50 | BindingDB |