Compound Detail
CHEMBL4111331
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 | CHEMBL4111331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCWWRBZVJKBTNV-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.80
ALogP
4
HBA
2
HBD
90.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.65 | 7.65 | 22.2 | 2 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.93 | 4.93 | 11800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 22.2 | nM | 7.65 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 6 | IC50 | = | 22.2 | nM | 7.65 | HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog... | - |
| Histone deacetylase 1 | IC50 | = | 11800.0 | nM | 4.93 | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp... | - |
| Histone deacetylase 1 | IC50 | = | 11800.0 | nM | 4.93 | HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog... | - |
Data from ChEMBL 36 via Core Engine