Molecule Details
| InChIKey | DMLHABDABMJTJN-SANMLTNESA-N |
|---|---|
| Compound Name | (2S)-2-[(2-chlorobenzoyl)amino]-3-[4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]propanoic acid |
| Canonical SMILES | CN1CCN(Cc2ccccc2-c2ccc(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 | 7.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P26010 | ITGB7 | Homo sapiens | Human | PF07974 PF08725 PF00362 PF17205 | 8.0 | IC50 | ChEMBL |
| P13612 | ITGA4 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 7.8 | IC50 | ChEMBL;BindingDB |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.6 | IC50 | ChEMBL |