Molecule Details
| InChIKey | DPRPMOCPAJEXJM-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[[4-[(4-Methyl-2-pyridyl)amino]butyrylamino]acetylamino]-3-[3-(trifluoromethoxy)phenyl]propionic acid |
| Canonical SMILES | Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(=O)O)c2cccc(OC(F)(F)F)c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18564 | ITGB6 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.7 | IC50 | ChEMBL;BindingDB |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.8 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.7 | IC50 | ChEMBL |
| P18084 | ITGB5 | Homo sapiens | Human | PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 7.4 | IC50 | ChEMBL;BindingDB |