Molecule Details
| InChIKey | VEXNNTLYFREDFU-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-1,3-dioxo-4H-isoquinoline-4-carboxamide |
| Canonical SMILES | COc1ccc(CNC(=O)C2C(=O)N(O)C(=O)c3ccccc32)c(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.75 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q76353 | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 7.0 | IC50 | BindingDB | |
| Q7ZJM1 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 7.0 | IC50 | ChEMBL |
| Q9WKE8 | reverse transcriptase | Human immunodeficiency virus type 1 | Pathogen | PF00078 | 6.2 | IC50 | BindingDB |