Compound Detail
CHEMBL3353058
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Basic Information
| ChEMBL ID | CHEMBL3353058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRYNPILZVVOIKV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
1.53
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.0 | 6.57 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant N-GST-tagged HDAC6 (unknown origin) assessed as reduct... | 25454270 |
| Histone deacetylase 6 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of HDAC6 in human HeLa cells assessed as reduction in K40 hyperacetyl... | 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