Molecule Details
| InChIKey | MBSMKNIEBKYDJI-STQMWFEESA-N |
|---|---|
| Compound Name | 2-[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide |
| Canonical SMILES | CN1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.67 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| 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 | 7.7 | IC50 | BindingDB |
| Q7ZJM1 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 7.7 | IC50 | ChEMBL |
| Q76353 | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 7.6 | IC50 | BindingDB |