Molecule Details
| InChIKey | QXXQWIDOJKUBHN-XTEPFMGCSA-N |
|---|---|
| Compound Name | 3-(4-hydroxy-2,5-dimethoxyphenyl)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-propylamino]-1-phenylbutan-2-yl]propanamide |
| Canonical SMILES | CCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1cc(OC)c(O)cc1OC)S(=O)(=O)c1ccc(OC)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.63 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q72547 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00075 PF00078 PF06815 PF06817 | 8.2 | IC50 | ChEMBL;BindingDB |
| 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 | 7.1 | IC50 | BindingDB |