Compound Detail
CHEMBL154302
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Basic Information
| ChEMBL ID | CHEMBL154302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFSSMGSFESHVQM-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
1.11
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.85
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.25 | 5.25 | 5642.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.19 | 4.19 | 64565.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expresse... | 34795871 |
| Histone deacetylase 1 | IC50 | = | 5642.0 | nM | 5.25 | Inhibition of recombinant human C-terminal His-tagged HDAC1 expressed in Sf9 ins... | 34795871 |
| Hepatitis C virus | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against HCV in human Huh-luc/neo7 cells after 72 hrs by lucif... | 24035094 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 65000.0 | nM | 4.19 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 64565.42 | nM | 4.19 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 65000.0 | nM | 4.19 | In vitro inhibitory activity against RBL-1 5-LO | 3820229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 24035094 | 10.1016/j.bmcl.2013.08.081 | Huh-7 | 1 |
| 24035094 | 10.1016/j.bmcl.2013.08.081 | Unchecked | 1 |
| 24035094 | 10.1016/j.bmcl.2013.08.081 | Hepatitis C virus | 1 |
| 25937017 | 10.1016/j.bmcl.2015.04.016 | Histone deacetylase 6 | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Histone deacetylase 1 | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Histone deacetylase 6 | 1 |
| 34795871 | 10.1021/acsmedchemlett.1c00425 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine