Molecule Details
| InChIKey | MQFPIRFODWNQIO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(1,1-Dioxido-4h-1,2,4-Benzothiadiazin-3-Yl)-4-Hydroxy-1-(3-Methylbutyl)quinolin-2(1h)-One |
| Canonical SMILES | CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07275 |
|---|---|
| Drug Name | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 30406 CHEMBL176058 ChemSpider: 20130494 PDB: 888 PubChem:16001653 PubChem:99443746 ZINC: ZINC000100035344
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O39930 | NS5b | Hepacivirus hominis | Pathogen | PF00998 | 7.1 | IC50 | ChEMBL |
| P26664 | Hepatitis C virus genotype 1a (isolate 1) | Pathogen | PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q99AU2 | Q99AU2 | Genome polyprotein | binder | targets |