Compound Detail
CHEMBL3040236
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3040236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYHQJWHAOKHZFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
1.62
ALogP
3
HBA
2
HBD
55.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human HDAC6 (unknown origin) | 32067866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32067866 | 10.1016/j.bmcl.2020.127023 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine