Molecule Details
| InChIKey | VCGRFBXVSFAGGA-UHFFFAOYSA-N |
|---|---|
| Compound Name | Basmisanil |
| Canonical SMILES | Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11877 |
|---|---|
| Drug Name | Basmisanil |
| CAS Number | 1159600-41-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Basmisanil has been used in trials studying the treatment and basic science of Down Syndrome. |
Categories: Oxazines
Cross-references: BindingDB: 133427 CHEMBL3681419 ChemSpider: 34500832 PDB: QI0 PubChem:57336276 PubChem:347828214 Wikipedia: Basmisanil ZINC: ZINC000145814743
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 8.4 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 8.4 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Ki | ChEMBL;BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | ChEMBL;BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | ChEMBL;BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P31644 | GABRA5 | Gamma-aminobutyric acid receptor subunit alpha-5 | modulator | targets |