Molecule Details
| InChIKey | HAMNCHGAVJSNBY-QHCPKHFHSA-N |
|---|---|
| Compound Name | (S)-2-Benzyloxycarbonylamino-5-{4-[3-(5-fluoro-1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-phenyl]-piperazin-1-yl}-5-oxo-pentanoic acid |
| Canonical SMILES | O=C(N[C@@H](CCC(=O)N1CCN(c2cccc(NC3=NCC(F)CN3)c2)CC1)C(=O)O)OCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.89 |
| 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 | 10.2 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 10.2 | IC50 | ChEMBL |
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 6.3 | IC50 | ChEMBL;BindingDB |