Molecule Details
| InChIKey | ZXRVKCBLGJOCEE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Gaboxadol |
| Canonical SMILES | Oc1noc2c1CCNC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.77 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06554 |
|---|---|
| Drug Name | Gaboxadol |
| CAS Number | 64603-91-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Gaboxadol also known as 4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol (THIP) is an experimental sleep aid drug developed by Lundbeck and Merck, who reported increased deep sleep without the reinforcing effects of benzodiazepines. Development of Gaboxadol was stopped in March 2007 after concerns reg... |
Categories: Analgesics Anesthetics Anticonvulsants Appetite Depressants Central Nervous System Agents Central Nervous System Depressants GABA Agents GABA Agonists Neurotransmitter Agents Peripheral Nervous System Agents Sensory System Agents
Cross-references: BindingDB: 50224809 ChEBI: 34373 CHEMBL312443 ChemSpider: 3330 C13693 D04282 PDB: EI7 PubChem:3448 PubChem:175427072 Wikipedia: Gaboxadol ZINC: ZINC000019795995
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 7.3 | Ki | BindingDB |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | Ki | BindingDB |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.8 | Ki | BindingDB |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.4 | Ki | BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | BindingDB |