Compound Detail
CHEMBL3318377
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Basic Information
| ChEMBL ID | CHEMBL3318377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMBBCCKSUWWIIU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.8
MW (Da)
6.23
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.22 | 5.725 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) usi... | 25036790 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate p... | 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 |
| 25150091 | 10.1016/j.bmc.2014.07.044 | Sphingosine kinase 2 | 1 |
| 25150091 | 10.1016/j.bmc.2014.07.044 | Sphingosine kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine