| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 072702W9QD |
Structure
| InChI Key | WHMXDBPHBVLYRC-OFVILXPXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C32H38ClN5O4 |
| Molecular Weight | 592.14 |
| AlogP | 4.51 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 108.2 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 42.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 18.91 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -15.23--8.47 | |
|
Unclassified protein
|
- | 2.3-2078 | - | 3.1-64 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL4303470 |
| EPA CompTox | DTXSID50677145 |
| FDA SRS | 072702W9QD |
| SureChEMBL | SCHEMBL1492164 |
| ZINC | ZINC000068151184 |
CONTENTS