Compound Detail
CHEMBL445420
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Basic Information
| ChEMBL ID | CHEMBL445420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMZYZYFPPQOFKY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
1.66
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion ... | 26037322 |
| Cyclin-dependent kinase 2 | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26037322 | 10.1016/j.bmcl.2015.05.004 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine