Compound Detail
CHEMBL1532739
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 | CHEMBL1532739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVKXHMNIODKIRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.3
MW (Da)
3.06
ALogP
6
HBA
2
HBD
118.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase asses... | 21739938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23669189 | 10.1016/j.bmc.2013.04.016 | Polyunsaturated fatty acid lipoxygenase ALOX15B | 2 |
| 23669189 | 10.1016/j.bmc.2013.04.016 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 2 |
| 23669189 | 10.1016/j.bmc.2013.04.016 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 2 |
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 23669189 | 10.1016/j.bmc.2013.04.016 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine