Compound Detail
CHEMBL6016668
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Basic Information
| ChEMBL ID | CHEMBL6016668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRCKFCQKCLSVQR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.09
ALogP
5
HBA
2
HBD
99.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.92 | 8.195 | 1.2 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.98 | 5.32 | 1045.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 1.2 | nM | 8.92 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
| Histone deacetylase 6 | IC50 | = | 33.6 | nM | 7.47 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
| Histone deacetylase 1 | IC50 | = | 1045.0 | nM | 5.98 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
| Histone deacetylase 1 | IC50 | = | 21950.0 | nM | 4.66 | HDAC Enzyme Activity Inhibition Assay (In Vitro): The effectiveness, or potency,... | - |
Data from ChEMBL 36 via Core Engine