Molecule Details
| InChIKey | GOIFCXRIFSYPFG-UHFFFAOYSA-N |
|---|---|
| Compound Name | Mrk-409 |
| Canonical SMILES | Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13993 |
|---|---|
| Drug Name | MRK-409 |
| CAS Number | 233275-76-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | MRK-409 is a GABA-A receptor agonist [A31972]. |
Categories: Anti-Anxiety Agents Central Nervous System Depressants Heterocyclic Compounds, Fused-Ring Hydrocarbons, Halogenated
Cross-references: ChemSpider: 11499267 ZINC: ZINC000095100106
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Ki | ChEMBL;BindingDB |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 9.7 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL;BindingDB |