Trade Names: | |
Synonyms: | |
Status: | Approved (2015) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | A05AA03 |
UNII: | G1JO7801AE |
InChI Key | BHQCQFFYRZLCQQ-OELDTZBJSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C24H40O5 |
Molecular Weight | 408.58 |
AlogP | 3.45 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 97.99 |
Molecular species | ACID |
Aromatic Rings | 0.0 |
Heavy Atoms | 29.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Lipid-like ligand receptor (family A GPCR)
Steroid-like ligand receptor
|
13600-19830 | 5300 | - | - | - | |
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group H
Nuclear hormone receptor subfamily 1 group H member 4
|
45000 | - | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 41-75 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Non-alcoholic Fatty Liver Disease | 3 | D065626 | ClinicalTrials |
Non-alcoholic Fatty Liver Disease | 3 | D065626 | ClinicalTrials |
Fatty Liver | 2 | D005234 | ClinicalTrials |
Lipodystrophy, Familial Partial | 2 | D052496 | ClinicalTrials |
Barrett Esophagus | 2 | D001471 | ClinicalTrials |
Liver Cirrhosis, Biliary | 2 | D008105 | ClinicalTrials |
Diarrhea | 2 | D003967 | ClinicalTrials |
Obesity | 1 | D009765 | ClinicalTrials |
Cholestasis | 1 | D002779 | ClinicalTrials |
Smith-Lemli-Opitz Syndrome | 1 | D019082 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 81-25-4 |
ChEBI | 16359 |
ChEMBL | CHEMBL205596 |
DrugBank | DB02659 |
DrugCentral | 3096 |
EPA CompTox | DTXSID6040660 |
FDA SRS | G1JO7801AE |
Human Metabolome Database | HMDB0000505 |
Guide to Pharmacology | 609 |
KEGG | C00695 |
PDB | CHD |
PharmGKB | PA166160055 |
PubChem | 221493 |
SureChEMBL | SCHEMBL27461 |
ZINC | ZINC000006858022 |