Trade Names: | |
Synonyms: | |
Status: | Approved (2014) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | N05CM19 |
UNII: | 081L192FO9 |
InChI Key | JYTNQNCOQXFQPK-MRXNPFEDSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C23H23ClN6O2 |
Molecular Weight | 450.93 |
AlogP | 4.11 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 80.29 |
Molecular species | NEUTRAL |
Aromatic Rings | 4.0 |
Heavy Atoms | 32.0 |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Orexin receptor antagonist | FDA |
Primary Target | |
---|---|
OX1 receptor | |
OX2 receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Orexin receptor
|
- | 0-138 | - | 0-3 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Delirium | 3 | D003693 | ClinicalTrials |
Alzheimer Disease | 2 | D000544 | ClinicalTrials |
Restless Legs Syndrome | 2 | D012148 | ClinicalTrials |
Sleep Wake Disorders | 2 | D012893 | ClinicalTrials |
Alcoholism | 2 | D000437 | ClinicalTrials |
Smoking Cessation | 2 | D016540 | ClinicalTrials |
Opioid-Related Disorders | 2 | D009293 | ClinicalTrials |
Sleep Apnea Syndromes | 1 | D012891 | ClinicalTrials |
Tobacco Use Disorder | 1 | D014029 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 1030377-33-3 |
ChEBI | 82698 |
ChEMBL | CHEMBL1083659 |
DrugBank | DB09034 |
DrugCentral | 4881 |
EPA CompTox | DTXSID90145616 |
FDA SRS | 081L192FO9 |
Guide to Pharmacology | 2890 |
PDB | SUV |
PubChem | 24965990 |
SureChEMBL | SCHEMBL1586289 |
ZINC | ZINC000049036447 |