Compound Detail
CHEMBL146202
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 | CHEMBL146202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMSFHHHXKKUCLQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
1.35
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.99 | 6.99 | 102.3 | 2 |
| Histone deacetylase CHEMBL2093865 | IC50 | 6.29 | 6.29 | 515.0 | 1 |
| Histone deacetylase CHEMBL2095943 | IC50 | 6.29 | 6.29 | 515.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 103.0 | nM | 6.99 | Inhibition of HDAC | 19136179 |
| Unchecked | IC50 | = | 102.33 | nM | 6.99 | Inhibition of HDAC | 19136179 |
| Histone deacetylase | IC50 | = | 515.0 | nM | 6.29 | Inhibitory concentration against rat liver Histone deacetylase | 14613312 |
| Histone deacetylase | IC50 | = | 515.0 | nM | 6.29 | Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50% | 11831887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831887 | 10.1021/jm015568c | Histone deacetylase | 2 |
| 19136179 | 10.1016/j.ejmech.2008.12.008 | Unchecked | 2 |
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine