| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 63S8C3RXGS |
Structure
| InChI Key | SYHDSBBKRLVLFF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C27H32ClNO2 |
| Molecular Weight | 438.01 |
| AlogP | 5.85 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 32.7 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | - | - | 11 | - | |
|
Membrane receptor
|
- | - | - | 8 | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135714 |
| ChEMBL | CHEMBL187709 |
| DrugCentral | 2761 |
| EPA CompTox | DTXSID6046507 |
| FDA SRS | 63S8C3RXGS |
| PubChem | 6536 |
| SureChEMBL | SCHEMBL133384 |
CONTENTS