Compound Detail
CHEMBL245946
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 | CHEMBL245946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGJNLGFANIDLSB-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
2.02
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.17
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.17 | 6.17 | 670.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 670.0 | nM | 6.17 | Inhibition of HDAC1 | 17576064 |
| Histone deacetylase 1 | IC50 | = | 672.0 | nM | 6.17 | Inhibition of human HDAC1 | 18247554 |
| Hepatitis C virus | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against HCV genotype 1b infected in human Huh7 cells after 3 ... | 25490700 |
| Histone deacetylase | IC50 | = | 2170.0 | nM | 5.66 | Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by... | 23768910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25490700 | 10.1021/jm501330g | ADMET | 2 |
| 17576064 | 10.1016/j.bmcl.2007.05.091 | Histone deacetylase 1 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 1 | 1 |
| 23768910 | 10.1016/j.bmcl.2013.05.053 | Histone deacetylase | 1 |
| 25490700 | 10.1021/jm501330g | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine