Compound Detail
CHEMBL4101436
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Basic Information
| ChEMBL ID | CHEMBL4101436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQLFZKBQFWHYGA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.29
ALogP
4
HBA
4
HBD
90.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.45 | 8.45 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 3.56 | nM | 8.45 | Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expresse... | 29304284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29304284 | 10.1021/acs.jmedchem.7b01404 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine