| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | D01AC05 |
| UNII: | GRI7WFR424 |
Structure
| InChI Key | MPIPASJGOJYODL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H14Cl4N2O |
| Molecular Weight | 416.14 |
| 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
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 17
Cytochrome P450 family 17A
Cytochrome P450 17A1
|
- | - | - | 610 | - | |
|
Enzyme
Hydrolase
|
- | - | - | - | 6.08 | |
|
Enzyme
Oxidoreductase
|
- | 23000 | - | - | 72.4 | |
|
Enzyme
Transferase
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -31.53--12.08 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 83667 |
| ChEMBL | CHEMBL1571863 |
| DrugBank | DB08943 |
| EPA CompTox | DTXSID7045447 |
| FDA SRS | GRI7WFR424 |
| PubChem | 3760 |
| SureChEMBL | SCHEMBL148288 |
CONTENTS