Compound Detail
CHEMBL2407722
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 | CHEMBL2407722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPQXVNKTJNZZFB-NRFANRHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
4.45
ALogP
5
HBA
3
HBD
79.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3/NCoR1 CHEMBL3038484 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3/NCoR1 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate in... | 23829483 |
| Histone deacetylase 2 | IC50 | = | 111.0 | nM | 6.96 | Inhibition of recombinant His-tagged HDAC2 (1 to 488) (unknown origin) using MAL... | 23829483 |
| Histone deacetylase 8 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant HDAC8 (unknown origin) expressed in Escherichia coli B... | 23829483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23829483 | 10.1021/jm400634n | Histone deacetylase 1 | 1 |
| 23829483 | 10.1021/jm400634n | Histone deacetylase 8 | 1 |
| 23829483 | 10.1021/jm400634n | Histone deacetylase 6 | 1 |
| 23829483 | 10.1021/jm400634n | Histone deacetylase 3/NCoR1 | 1 |
| 23829483 | 10.1021/jm400634n | Histone deacetylase 2 | 1 |
Data from ChEMBL 36 via Core Engine