Molecule Details
| InChIKey | QCPJTEUURKCRNT-BHIFYINESA-N |
|---|---|
| Compound Name | [(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pent-4-ynyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid |
| Canonical SMILES | C#CC[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18510 | IL1RN | Homo sapiens | Human | PF00340 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9UIQ6 | LNPEP | Homo sapiens | Human | PF11838 PF01433 PF17900 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q6P179 | ERAP2 | Homo sapiens | Human | PF11838 PF01433 PF17900 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9NZ08 | ERAP1 | Homo sapiens | Human | PF11838 PF01433 PF17900 | 7.4 | IC50 | ChEMBL;BindingDB |