Molecule Details
| InChIKey | NVSCTWCNVXBLQP-SFTDATJTSA-N |
|---|---|
| Compound Name | (S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-azetidine-2-carbonyl]-amino}-3-[2-(2,6-dichloro-phenyl)-benzooxazol-5-yl]-propionic acid |
| Canonical SMILES | O=C(O)[C@H](Cc1ccc2oc(-c3c(Cl)cccc3Cl)nc2c1)NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.8 | IC50 | ChEMBL |
| P13612 | ITGA4 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 8.4 | IC50 | ChEMBL;BindingDB |
| P26010 | ITGB7 | Homo sapiens | Human | PF07974 PF08725 PF00362 PF17205 | 6.8 | IC50 | ChEMBL |