| Synonyms: | |
| Status: | Approved (2003) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D01AC14 |
| UNII: | 72W71I16EG |
Structure
| InChI Key | JLGKQTAYUIMGRK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H15Cl3N2OS |
| Molecular Weight | 437.78 |
| AlogP | 7.02 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 27.05 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 7400 | - | - | - | |
|
Enzyme
Oxidoreductase
|
- | 3800-8400 | - | - | 71 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Dermatitis, Atopic | 2 | D003876 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 83682 |
| ChEMBL | CHEMBL1201196 |
| DrugBank | DB01153 |
| DrugCentral | 2434 |
| EPA CompTox | DTXSID0048551 |
| FDA SRS | 72W71I16EG |
| Human Metabolome Database | HMDB0015284 |
| PharmGKB | PA164748328 |
| PubChem | 65863 |
| SureChEMBL | SCHEMBL66043 |
CONTENTS