Trade Names | |
Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | N05CM19 |
UNII | 081L192FO9 |
EPA CompTox | DTXSID90145616 |
InChI Key | JYTNQNCOQXFQPK-MRXNPFEDSA-N | |
---|---|---|
Smiles | ||
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 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Orexin receptor antagonist | ANTAGONIST | FDA |
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 | - |
Resources | Reference | |
---|---|---|
ChEBI | 82698 | |
ChEMBL | CHEMBL1083659 | |
DrugBank | DB09034 | |
DrugCentral | 4881 | |
FDA SRS | 081L192FO9 | |
Guide to Pharmacology | 2890 | |
PDB | SUV | |
PubChem | 24965990 | |
SureChEMBL | SCHEMBL1586289 | |
ZINC | ZINC000049036447 |