Compound Detail
CHEMBL3318385
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Basic Information
| ChEMBL ID | CHEMBL3318385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPGPOCUUXZVIQE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.90
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.31 | 5.24 | 4900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate p... | 25036790 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) usi... | 25036790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Prostaglandin G/H synthase 1 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine