| Synonyms: | |
| Status: | Approved (2019) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | K0N0Z40J3W |
Structure
| InChI Key | YIMYDTCOUQIDMT-SNAWJCMRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13NO6 |
| Molecular Weight | 255.23 |
| AlogP | -0.59 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 89.98 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Kelch-like ECH-associated protein 1 inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 7.103 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -0.93-1.64 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Peripheral Arterial Disease | 1 | D058729 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3989944 |
| DrugBank | DB14783 |
| FDA SRS | K0N0Z40J3W |
| Guide to Pharmacology | 10525 |
| PubChem | 73330464 |
| SureChEMBL | SCHEMBL15499960 |
| ZINC | ZINC000215286156 |
CONTENTS