Molecule Details
| InChIKey | JUVWMVYEUFVLOP-ZXYZSCNASA-N |
|---|---|
| Compound Name | 2-[(12S,15R,18S,24S)-15-benzyl-12-carbamoyl-24-[3-(diaminomethylideneamino)propyl]-14,17,20,23,26-pentaoxo-8,13,16,19,22,25-hexazatetracyclo[25.3.1.02,7.06,10]hentriaconta-1(31),2,4,6,9,27,29-heptaen-18-yl]acetic acid |
| Canonical SMILES | N=C(N)NCCC[C@@H]1NC(=O)c2cccc(c2)-c2cccc3c(c[nH]c23)C[C@@H](C(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.2 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.2 | IC50 | ChEMBL |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 6.0 | IC50 | ChEMBL |
| P08648 | ITGA5 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 6.0 | IC50 | ChEMBL;BindingDB |