Molecule Details
| InChIKey | YAXVKGQMOOKIMH-YNXUSBPMSA-N |
|---|---|
| Compound Name | 2-[(1R,4S,10S,13R,15S)-4-[3-(diaminomethylideneamino)propyl]-17-methoxycarbonyl-2,5,8,11-tetraoxo-3,6,9,12,17-pentazatricyclo[11.3.2.01,15]octadecan-10-yl]acetic acid |
| Canonical SMILES | COC(=O)N1C[C@H]2C[C@H]3C[C@]31C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.8 | IC50 | ChEMBL |
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 7.8 | IC50 | ChEMBL;BindingDB |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.5 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.5 | IC50 | ChEMBL |