Trade Names: | |
Synonyms: | |
Status: | Approved (1987) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 724L30Y2QR |
InChI Key | RUDATBOHQWOJDD-UZVSRGJWSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C24H40O4 |
Molecular Weight | 392.58 |
AlogP | 4.48 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 77.76 |
Molecular species | ACID |
Aromatic Rings | 0.0 |
Heavy Atoms | 28.0 |
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
|
2390-36400 | - | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 150 | |
Unclassified protein
|
- | 26540 | - | 1134 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Liver Cirrhosis, Biliary | 4 | D008105 | ClinicalTrials |
Liver Diseases | 3 | D008107 | ClinicalTrials |
Liver Diseases | 3 | D008107 | ClinicalTrials |
Hepatitis C, Chronic | 3 | D019698 | ClinicalTrials |
Cholelithiasis | 3 | D002769 | ClinicalTrials |
Cholestasis, Intrahepatic | 3 | D002780 | ClinicalTrials |
Pregnancy | 2 | D011247 | ClinicalTrials |
Heart Failure | 2 | D006333 | ClinicalTrials |
Chemical and Drug Induced Liver Injury | 2 | D056486 | ClinicalTrials |
Cholangitis, Sclerosing | 2 | D015209 | ClinicalTrials |
Arthritis, Rheumatoid | 2 | D001172 | ClinicalTrials |
Parkinson Disease | 2 | D010300 | ClinicalTrials |
Non-alcoholic Fatty Liver Disease | 2 | D065626 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
Jaundice, Obstructive | 2 | D041781 | ClinicalTrials |
Adenomatous Polyposis Coli | 2 | D011125 | ClinicalTrials |
Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
Inflammation | 2 | D007249 | ClinicalTrials |
Cholestasis | 2 | D002779 | ClinicalTrials |
Obesity | 1 | D009765 | ClinicalTrials |
Liver Cirrhosis | 1 | D008103 | ClinicalTrials |
Glucose Intolerance | 1 | D018149 | ClinicalTrials |
Huntington Disease | 1 | D006816 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 128-13-2 |
ChEBI | 9907 |
ChEMBL | CHEMBL1551 |
DrugBank | DB01586 |
DrugCentral | 2797 |
EPA CompTox | DTXSID6023731 |
FDA SRS | 724L30Y2QR |
Human Metabolome Database | HMDB0000946 |
Guide to Pharmacology | 7104 |
KEGG | C07880 |
PDB | IU5 |
PharmGKB | PA451837 |
PubChem | 31401 |
SureChEMBL | SCHEMBL27200 |
ZINC | ZINC000003914809 |