Compound Detail
CHEMBL4129070
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Basic Information
| ChEMBL ID | CHEMBL4129070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLVLSTLRFFQNOK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.29
ALogP
4
HBA
3
HBD
81.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 11 CHEMBL3310 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 161.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 11 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of full length recombinant human HDAC11 expressed in baculoviral expr... | 29776742 |
| Histone deacetylase 6 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of full length recombinant human HDAC6 using fluorescent-labeled pept... | 29776742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29776742 | 10.1016/j.bmcl.2018.05.021 | Histone deacetylase 11 | 1 |
| 29776742 | 10.1016/j.bmcl.2018.05.021 | Histone deacetylase 6 | 1 |
| 29776742 | 10.1016/j.bmcl.2018.05.021 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine