Compound Detail
CHEMBL1352020
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Basic Information
| ChEMBL ID | CHEMBL1352020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUNURSMEOCMLOG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.73
ALogP
3
HBA
0
HBD
17.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.89
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15B CHEMBL2457 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B CHEMBL2457 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15B | IC50 | = | 870.0 | nM | 6.06 | Inhibition of human 15-LOX-2 assessed as enzymatic rate using arachidonic acid a... | 34500187 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | EC50 | = | 1300.0 | nM | 5.89 | Inhibition of human 15-LOX-2 expressed in HEK293T cells assessed as a reduction ... | 34500187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34500187 | 10.1016/j.bmc.2021.116349 | Polyunsaturated fatty acid lipoxygenase ALOX15B | 6 |
| 34500187 | 10.1016/j.bmc.2021.116349 | Unchecked | 5 |
| 34500187 | 10.1016/j.bmc.2021.116349 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 34500187 | 10.1016/j.bmc.2021.116349 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 34500187 | 10.1016/j.bmc.2021.116349 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 34500187 | 10.1016/j.bmc.2021.116349 | Polyunsaturated fatty acid lipoxygenase ALOX8 | 1 |
| 34500187 | 10.1016/j.bmc.2021.116349 | Prostaglandin G/H synthase 1 | 1 |
| 34500187 | 10.1016/j.bmc.2021.116349 | Prostaglandin G/H synthase 2 | 1 |
| 34500187 | 10.1016/j.bmc.2021.116349 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine