Compound Detail
CHEMBL154585
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 | CHEMBL154585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWLKPHOMARIZAB-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
2.47
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.48
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.48 | 5.41 | 3300.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 400.0 | nM | 6.4 | Antiviral activity against HCV infected in human HuH7-luc/neo cells assessed as ... | 31201063 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3300.0 | nM | 5.48 | Compound was tested for its inhibition activity against 5-LO of the whole cell i... | 3820229 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4000.0 | nM | 5.4 | Compound was tested for its inhibition activity against the 5-LO in isolated enz... | 3820229 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4100.0 | nM | 5.39 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4073.8 | nM | 5.39 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4100.0 | nM | 5.39 | In vitro inhibitory activity against RBL-1 5-LO | 3820229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 3820229 | 10.1021/jm00386a022 | Cyclooxygenase | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Histone deacetylase 1 | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Histone deacetylase 2 | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Histone deacetylase 3 | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Histone deacetylase 6 | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Hepatitis C virus | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | Huh-7 | 1 |
| 31201063 | 10.1016/j.bmcl.2019.06.006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine