Molecule Details
| InChIKey | KKZBAYODMNBMQJ-IBGZPJMESA-N |
|---|---|
| Compound Name | 4-Methyl-piperazine-1-carboxylic acid 4-[(S)-2-carboxy-2-(2-chloro-benzoylamino)-ethyl]-phenyl ester |
| Canonical SMILES | CN1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)O)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.44 |
| 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 | 9.0 | 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 | 7.9 | IC50 | ChEMBL |