Compound Detail
CHEMBL4639586
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 | CHEMBL4639586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVTQYDDCOIFTGY-IBGZPJMESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.76
ALogP
7
HBA
2
HBD
119.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3/NCoR1 CHEMBL3038484 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 3/NCoR1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (... | 32676157 |
| Histone deacetylase 1 | IC50 | = | 207.0 | nM | 6.68 | Inhibition of full length human recombinant FLAG-tagged HDAC1 expressed in HEK29... | 32676157 |
| Histone deacetylase 2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of full length human recombinant FLAG-tagged HDAC2 expressed in bacul... | 32676157 |
| Histone deacetylase 8 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human recombinant HDAC8 expressed in Escherichia coli using FLUOR ... | 32676157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32676157 | 10.1021/acsmedchemlett.0c00302 | Histone deacetylase 1 | 1 |
| 32676157 | 10.1021/acsmedchemlett.0c00302 | Histone deacetylase 2 | 1 |
| 32676157 | 10.1021/acsmedchemlett.0c00302 | Histone deacetylase 3/NCoR1 | 1 |
| 32676157 | 10.1021/acsmedchemlett.0c00302 | Histone deacetylase 6 | 1 |
| 32676157 | 10.1021/acsmedchemlett.0c00302 | Histone deacetylase 8 | 1 |
| 32676157 | 10.1021/acsmedchemlett.0c00302 | Class 1 histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine