Molecule Details
| InChIKey | DPVUQQDISRAKFA-MAGNIPBMSA-N |
|---|---|
| Compound Name | [8-Benzyl-14-(3-guanidino-propyl)-11-isopropyl-3,6,9,12,15-pentaoxo-1,2,4,7,10,13hexaaza-cyclopentadec-5-yl]-acetic acid |
| Canonical SMILES | CC(C)[C@H]1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)NNC(=O)C(CCCNC(=N)N)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.38 |
| Source | 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 | 8.5 | IC50 | BindingDB |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.3 | IC50 | BindingDB |
| P18564 | ITGB6 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 6.3 | IC50 | BindingDB |