Molecule Details
| InChIKey | QVDJMLQSYRSZKC-UPVQGACJSA-N |
|---|---|
| Compound Name | N-(Benzyloxycarbonyl)-L-phenylalanyl-L-tyrosinal |
| Canonical SMILES | O=C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.89 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 9.6 | Ki | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 9.2 | IC50 | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 9.1 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.1 | IC50 | ChEMBL;BindingDB |
| P17655 | CAPN2 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 6.7 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | pIC50 | TTD_MultiTarget |
| Q8I6Z5 | PMV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 PF14543 | 6.7 | pIC50 | TTD_MultiTarget |