Molecule Details
| InChIKey | FXYDXLJEJBXFBD-DJNSEWAMSA-N |
|---|---|
| Compound Name | (2S,5S,8S,11S,14S)-8-(carboxymethyl)-2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-5-(2-methylpropyl)-3,6,9,12,16-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-14-carboxylic acid |
| Canonical SMILES | Cc1ccccc1NC(=O)Nc1ccc(C[C@@H]2NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.4 | IC50 | ChEMBL |
| P13612 | ITGA4 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 7.4 | IC50 | ChEMBL |
| P26010 | ITGB7 | Homo sapiens | Human | PF07974 PF08725 PF00362 PF17205 | 7.4 | IC50 | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | IC50 | ChEMBL |
| P05107 | ITGB2 | Homo sapiens | Human | PF23105 PF08725 PF07965 PF00362 PF17205 | 7.1 | IC50 | ChEMBL |
| P56199 | ITGA1 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00092 | 7.1 | IC50 | ChEMBL |