| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | PWZ1720CBH |
Structure
| InChI Key | XVAMCHGMPYWHNL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C38H49N3O5 |
| Molecular Weight | 627.83 |
| AlogP | 9.48 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 18.0 |
| Polar Surface Area | 106.82 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 46.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 11.48 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -28.83--4.22 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135857 |
| ChEMBL | CHEMBL2104956 |
| DrugBank | DB11206 |
| DrugCentral | 3014 |
| EPA CompTox | DTXSID40896984 |
| FDA SRS | PWZ1720CBH |
| PubChem | 135487856 |
| SureChEMBL | SCHEMBL77320 |
CONTENTS