| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05CF04 |
| UNII: | UZX80K71OE |
Structure
| InChI Key | GBBSUAFBMRNDJC-INIZCTEOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H17ClN6O3 |
| Molecular Weight | 388.82 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 91.76 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | 102 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sleep Apnea, Obstructive | 2 | D020181 | ClinicalTrials |
| Anxiety Disorders | 2 | D001008 | ClinicalTrials |
| Marijuana Abuse | 1 | D002189 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 138729-47-2 |
| ChEBI | 53760 |
| ChEMBL | CHEMBL1522 |
| DrugBank | DB00402 |
| DrugCentral | 1068 |
| EPA CompTox | DTXSID8046086 |
| FDA SRS | UZX80K71OE |
| Human Metabolome Database | HMDB0014546 |
| Guide to Pharmacology | 7429 |
| KEGG | D02624 |
| PharmGKB | PA162630444 |
| PubChem | 969472 |
| SureChEMBL | SCHEMBL28657 |
| ZINC | ZINC000019632834 |
CONTENTS