Molecule Details
| InChIKey | PZAMXSCMHJPGFV-SEBNEYGDSA-N |
|---|---|
| Compound Name | 2-[(1R,4S,10S,13S,16R)-10-[3-(diaminomethylideneamino)propyl]-3,6,9,12,20-pentaoxo-2,5,8,11,21-pentazatricyclo[11.6.2.016,21]henicosan-4-yl]acetic acid |
| Canonical SMILES | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CC[C@H]3CCC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N32 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.93 |
| Source | ChEMBL |
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 | 9.0 | IC50 | ChEMBL |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.9 | IC50 | ChEMBL |
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.8 | IC50 | ChEMBL |