| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1987) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | G01AG02 |
| UNII: | 0KJ2VE664U |
Structure
| InChI Key | BLSQLHNBWJLIBQ-OZXSUGGESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H31Cl2N5O3 |
| Molecular Weight | 532.47 |
| AlogP | 4.46 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 64.88 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 51
Cytochrome P450 family 51A
Cytochrome P450 51A1
|
- | 3000 | - | - | - | |
|
Enzyme
Oxidoreductase
|
- | 410 | - | - | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
8900-14100 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Candidiasis, Vulvovaginal | 3 | D002181 | ClinicalTrials |
| Vaginitis | 0 | D014627 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67915-31-5 |
| ChEBI | 82980 |
| ChEMBL | CHEMBL1306 |
| DrugBank | DB00251 |
| EPA CompTox | DTXSID2045498 |
| FDA SRS | 0KJ2VE664U |
| Human Metabolome Database | HMDB0014396 |
| KEGG | C08080 |
| PharmGKB | PA164768834 |
| PubChem | 480953 |
| SureChEMBL | SCHEMBL23165 |
| ZINC | ZINC000003873936 |
CONTENTS