Compound Detail
CHEMBL325733
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL325733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULHQUNKWQUAIGA-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
1.64
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase HD2 CHEMBL4919 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Histone deacetylase CHEMBL2095943 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase HD2 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of in vitro enzyme activity measured in a highly purified maize Histo... | 12109913 |
| Histone deacetylase | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of in vitro enzyme activity measured in partially purified rat liver ... | 12109913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109913 | 10.1021/jm0208119 | Histone deacetylase HD2 | 1 |
| 12109913 | 10.1021/jm0208119 | Histone deacetylase | 1 |
| 12109913 | 10.1021/jm0208119 | Friend leukemia cell line | 1 |
Data from ChEMBL 36 via Core Engine