Molecule Details
| InChIKey | UYYUHWSVKOGLPA-QZDLMFANSA-N |
|---|---|
| Compound Name | tert-butyl 1-[(2R,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate |
| Canonical SMILES | CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0DMS8 | ADORA3 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL |
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 6.8 | IC50 | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 6.8 | IC50 | ChEMBL |