Compound Detail
CHEMBL238624
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Oc1c(Cl)cc(C(c2cc(Cl)c(O)c(Cl)c2)C(c2cc(Cl)c(O)c(Cl)c2)c2cc(Cl)c(O)c(Cl)c2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL238624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGVJRDOIJQMGEF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
674.0
MW (Da)
10.70
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human 12-hLO | 17826100 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of human 15-hLO1 | 17826100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17826100 | 10.1016/j.bmc.2007.08.015 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 4 |
| 17826100 | 10.1016/j.bmc.2007.08.015 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 3 |
| 17826100 | 10.1016/j.bmc.2007.08.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine