| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 95YH599JWV |
Structure
| InChI Key | OPAHEYNNJWPQPX-RCDICMHDSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H17F2N5OS |
| Molecular Weight | 437.48 |
| AlogP | 4.24 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 87.62 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Cytochrome P450 51 inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 10370 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Mycoses | 1 | D009181 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 182760-06-1 |
| ChEBI | 143825 |
| ChEMBL | CHEMBL294029 |
| DrugBank | DB06440 |
| EPA CompTox | DTXSID40171329 |
| FDA SRS | 95YH599JWV |
| PubChem | 467825 |
| SureChEMBL | SCHEMBL939026 |
| ZINC | ZINC000000600547 |
CONTENTS