| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1974) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | VW4H1CYW1K |
| Parent Compound: | MICONAZOLE |
Structure
| InChI Key | MCCACAIVAXEFAL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H15Cl4N3O4 |
| Molecular Weight | 479.15 |
| AlogP | 6.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 27.05 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cytochrome P450 51 inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphatase
|
70585 | - | - | - | - | |
|
Enzyme
Transferase
|
- | - | - | - | 10.98 | |
|
Enzyme
|
70585 | - | - | - | 10.98 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | 2.87-12.4 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 119.9 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 114000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tinea Pedis | 2 | D014008 | ClinicalTrials |
| Candidiasis, Vulvovaginal | 2 | D002181 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 6924 |
| ChEMBL | CHEMBL1559 |
| FDA SRS | VW4H1CYW1K |
| Guide to Pharmacology | 2449 |
| KEGG | C08070 |
| PubChem | 68553 |
| SureChEMBL | SCHEMBL15799 |
| ZINC | ZINC00896740 |
CONTENTS