Molecule Details
| InChIKey | XWZXOSXSUDVTSY-SFHVURJKSA-N |
|---|---|
| Compound Name | (S)-2-(2,6-Dichloro-benzoylamino)-3-[2-(2,6-dichloro-phenyl)-1H-benzoimidazol-5-yl]-propionic acid |
| Canonical SMILES | O=C(N[C@@H](Cc1ccc2[nH]c(-c3c(Cl)cccc3Cl)nc2c1)C(=O)O)c1c(Cl)cccc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.46 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P13612 | ITGA4 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 8.5 | IC50 | ChEMBL;BindingDB |
| P26010 | ITGB7 | Homo sapiens | Human | PF07974 PF08725 PF00362 PF17205 | 8.5 | IC50 | ChEMBL |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.4 | IC50 | ChEMBL |