Compound Detail
CHEMBL3353064
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Basic Information
| ChEMBL ID | CHEMBL3353064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUTVKRYRMPECRO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
0.67
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 810.0 | nM | 6.09 | Inhibition of recombinant N-GST-tagged HDAC6 (unknown origin) assessed as reduct... | 25454270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25454270 | 10.1016/j.bmcl.2014.10.022 | Histone deacetylase 6 | 2 |
| 25454270 | 10.1016/j.bmcl.2014.10.022 | Unchecked | 1 |
| 25454270 | 10.1016/j.bmcl.2014.10.022 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
Data from ChEMBL 36 via Core Engine