Compound Detail
CHEMBL395449
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Basic Information
| ChEMBL ID | CHEMBL395449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OANWEBOHKLZIJJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.18
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of 12-hLO | 17869117 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of 15-hLO1 | 17869117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17869117 | 10.1016/j.bmc.2007.07.036 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 2 |
| 17869117 | 10.1016/j.bmc.2007.07.036 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 17869117 | 10.1016/j.bmc.2007.07.036 | Unchecked | 1 |
| 17869117 | 10.1016/j.bmc.2007.07.036 | Polyunsaturated fatty acid lipoxygenase ALOX15B | 1 |
Data from ChEMBL 36 via Core Engine