Compound Detail
CHEMBL2431902
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Basic Information
| ChEMBL ID | CHEMBL2431902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDVLHAUUYXEDGR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
1.74
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.28 | 6.825 | 52.0 | 2 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of N-terminal GST-tagged recombinant HDAC6 (unknown origin) assessed ... | 23964961 |
| Histone deacetylase 6 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of HDAC6 in human HeLa cells using acetyl tubulin as substrate assess... | 23964961 |
| Histone deacetylase 8 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of full length C-terminal His6x-tagged recombinant human HDAC8 expres... | 23964961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23964961 | 10.1021/jm400385r | Histone deacetylase 6 | 3 |
| 23964961 | 10.1021/jm400385r | Unchecked | 2 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 8 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 11 | 1 |
| 23964961 | 10.1021/jm400385r | Polyamine deacetylase HDAC10 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 7 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 5 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 4 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 3 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 2 | 1 |
| 23964961 | 10.1021/jm400385r | Histone deacetylase 1 | 1 |
| 23964961 | 10.1021/jm400385r | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine