Compound Detail
CHEMBL351337
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Basic Information
| ChEMBL ID | CHEMBL351337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VESPFSJNQMGUCQ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
216.0
MW (Da)
1.57
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.85 | 4.85 | 14000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against HCV in human Huh-luc/neo7 cells after 72 hrs by lucif... | 24035094 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 14000.0 | nM | 4.85 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 14125.38 | nM | 4.85 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 14000.0 | nM | 4.85 | 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 |
| 28262526 | 10.1016/j.bmcl.2017.01.080 | MDA-MB-231 | 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 |
Data from ChEMBL 36 via Core Engine