Compound Detail
CHEMBL4087914
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Basic Information
| ChEMBL ID | CHEMBL4087914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZMXQOXHONSCSV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
3.50
ALogP
8
HBA
6
HBD
155.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.77 | 5.485 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human A549 cell microsomal membrane-derived mPGES-1 assessed as re... | 28240894 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using ... | 28240894 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid ... | 28240894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28240894 | 10.1021/acs.jnatprod.6b01008 | Polyunsaturated fatty acid 5-lipoxygenase | 3 |
| 28240894 | 10.1021/acs.jnatprod.6b01008 | Neutrophil | 1 |
| 28240894 | 10.1021/acs.jnatprod.6b01008 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine