| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D01AE16 |
| UNII: | AB0BHP2FH0 |
Structure
| InChI Key | MQHLMHIZUIDKOO-AYHJJNSGSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H35NO |
| Molecular Weight | 317.52 |
| AlogP | 4.66 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 12.47 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 10.93 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -1.29--1.12 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Onychomycosis | 3 | D014009 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 599440 |
| ChEMBL | CHEMBL489411 |
| DrugBank | DB09056 |
| DrugCentral | 188 |
| EPA CompTox | DTXSID0046690 |
| FDA SRS | AB0BHP2FH0 |
| PubChem | 54260 |
| SureChEMBL | SCHEMBL150666 |
CONTENTS