| Synonyms: | |
| Status: | Approved (2020) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | C10AX15 |
| UNII: | 1EJ6Z6Q368 |
Structure
| InChI Key | HYHMLYSLQUKXKP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H36O5 |
| Molecular Weight | 344.49 |
| AlogP | 4.47 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 94.83 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | ATP-citrate synthase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Ligase
|
- | 29000 | - | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | 19.18 | |
|
Enzyme
|
- | 29000 | - | - | 19.18 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -31.14-1.13 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Coronary Artery Disease | 4 | D003324 | FDA |
| Hyperlipidemias | 3 | D006949 | ClinicalTrials |
| Lipid Metabolism Disorders | 2 | D052439 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 2 | D003924 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 738606-46-7 |
| ChEBI | 149601 |
| ChEMBL | CHEMBL3545313 |
| DrugBank | DB11936 |
| DrugCentral | 5382 |
| FDA SRS | 1EJ6Z6Q368 |
| Guide to Pharmacology | 8321 |
| PubChem | 10472693 |
| SureChEMBL | SCHEMBL185768 |
| ZINC | ZINC000003948738 |
CONTENTS