| Synonyms: | |
| Status: | Approved (1988) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D01AC11 |
| UNII: | C668Q9I33J |
Structure
| InChI Key | QRJJEGAJXVEBNE-HKOYGPOVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H13Cl4N3O |
| Molecular Weight | 429.13 |
| AlogP | 6.12 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 39.41 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 28000 | - | - | 25 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 7825 |
| ChEMBL | CHEMBL1262 |
| DrugBank | DB00239 |
| DrugCentral | 3408 |
| EPA CompTox | DTXSID8040690 |
| FDA SRS | C668Q9I33J |
| KEGG | C08074 |
| PubChem | 5353853 |
| SureChEMBL | SCHEMBL4540297 |
| ZINC | ZINC000003873295 |
CONTENTS