Molecule Details
| InChIKey | QKFOTLXPIIESQI-IEZKXTBUSA-N |
|---|---|
| Compound Name | Nalpha-[(2s)-2-{[[(1r)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]methyl}-4-Methylpentanoyl]-L-Tryptophanamide |
| Canonical SMILES | CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.75 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P15144 | ANPEP | Homo sapiens | Human | PF11838 PF01433 PF17900 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q6P179 | ERAP2 | Homo sapiens | Human | PF11838 PF01433 PF17900 | 8.0 | IC50 | ChEMBL;BindingDB |
| P18510 | IL1RN | Homo sapiens | Human | PF00340 | 7.5 | IC50 | ChEMBL |
| Q9NZ08 | ERAP1 | Homo sapiens | Human | PF11838 PF01433 PF17900 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q9UIQ6 | LNPEP | Homo sapiens | Human | PF11838 PF01433 PF17900 | 7.4 | IC50 | ChEMBL;BindingDB |