Compound Detail
CHEMBL245741
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Basic Information
| ChEMBL ID | CHEMBL245741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFZFBIHVPMBSOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
2.60
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 8 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of human HDAC8 by [3H]acetyl histone peptide assay | 17346959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17346959 | 10.1016/j.bmcl.2007.02.064 | Histone deacetylase 8 | 1 |
| 29983281 | 10.1016/j.bmc.2018.06.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine