Molecule Details
| InChIKey | NGBKFLTYGSREKK-ANYOKISRSA-N |
|---|---|
| Compound Name | Phenylmethyl N-((1S)-1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate |
| Canonical SMILES | CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.59 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.6 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | pIC50 | TTD_MultiTarget |
| P04632 | CAPNS1 | Homo sapiens | Human | — | 7.4 | IC50 | ChEMBL |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.3 | IC50 | ChEMBL;BindingDB |
| P07384 | CAPN1 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 7.2 | IC50 | ChEMBL;BindingDB |
| P17655 | CAPN2 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 6.5 | IC50 | ChEMBL |
| Q8I6Z5 | PMV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 PF14543 | 8.1 | pIC50 | TTD_MultiTarget |