| Synonyms: | |
| Status: | Approved (1984) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D10AE01 |
| UNII: | W9WZN9A0GM |
Structure
| InChI Key | OMPJBNCRMGITSC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H10O4 |
| Molecular Weight | 242.23 |
| AlogP | 2.62 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.6 |
| Molecular species | None |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Releases active oxygen |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 4.951-30.68 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 0.67-1.52 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Infections | 3 | D007239 | ClinicalTrials |
| Molluscum Contagiosum | 3 | D008976 | ClinicalTrials |
| Keratosis, Actinic | 2 | D055623 | ClinicalTrials |
| Rosacea | 1 | D012393 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-36-0 |
| ChEBI | 82405 |
| ChEMBL | CHEMBL1200370 |
| DrugBank | DB09096 |
| DrugCentral | 328 |
| EPA CompTox | DTXSID6024591 |
| FDA SRS | W9WZN9A0GM |
| Human Metabolome Database | HMDB32040 |
| KEGG | C19346 |
| PubChem | 7187 |
| SureChEMBL | SCHEMBL63 |
| ZINC | ZINC000000001016 |
CONTENTS