Molecule Details
| InChIKey | AEZOMALWKBTDJK-DEOSSOPVSA-N |
|---|---|
| Compound Name | (S)-5-Oxo-5-{4-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-phenyl]-piperazin-1-yl}-2-(2,4,6-trimethyl-benzenesulfonylamino)-pentanoic acid |
| Canonical SMILES | Cc1cc(C)c(S(=O)(=O)N[C@@H](CCC(=O)N2CCN(c3cccc(NC4=NCCCN4)c3)CC2)C(=O)O)c(C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 9.7 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 9.7 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 7.5 | IC50 | ChEMBL;BindingDB |