Compound Detail
CHEMBL155132
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Basic Information
| ChEMBL ID | CHEMBL155132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NORABPMBUQMZLT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
182.1
MW (Da)
0.71
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.64
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.64 | 4.64 | 22908.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against HCV in human Huh-luc/neo7 cells after 72 hrs by lucif... | 24035094 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 23000.0 | nM | 4.64 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 22908.68 | nM | 4.64 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 23000.0 | nM | 4.64 | In vitro inhibitory activity against RBL-1 5-LO | 3820229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26037320 | 10.1016/j.bmcl.2015.04.099 | Mycolicibacterium vaccae | 3 |
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 26037320 | 10.1016/j.bmcl.2015.04.099 | Mycobacterium tuberculosis | 2 |
| 26037320 | 10.1016/j.bmcl.2015.04.099 | Pseudomonas aeruginosa | 2 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 19791805 | 10.1021/jm900775q | Serine racemase | 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 |
| 26037320 | 10.1016/j.bmcl.2015.04.099 | Bacillus spizizenii | 1 |
| 26037320 | 10.1016/j.bmcl.2015.04.099 | Staphylococcus aureus | 1 |
| 26037320 | 10.1016/j.bmcl.2015.04.099 | Micrococcus luteus | 1 |
| 26037320 | 10.1016/j.bmcl.2015.04.099 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine