Compound Detail
CHEMBL5885166
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 | CHEMBL5885166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUMDRDCQGKHKMT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.77
ALogP
3
HBA
2
HBD
78.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 2 CHEMBL1937 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 4.76 | 4.76 | 17550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Histone Deacetylase Enzymatic Activity Assay: HDAC1: The following... | - |
| Histone deacetylase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Histone Deacetylase Enzymatic Activity Assay: HDAC2: The following... | - |
| Histone deacetylase 3 | IC50 | = | 17550.0 | nM | 4.76 | Inhibition of Histone Deacetylase Enzymatic Activity Assay: HDAC3: The following... | - |
Data from ChEMBL 36 via Core Engine