Compound Detail
CHEMBL129478
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Basic Information
| ChEMBL ID | CHEMBL129478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMVWUVFTMCPYDZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
5.75
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.7 | 7.775 | 2.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 2.0 | nM | 8.7 | Test inhibition of LTB4 production in human peripheral blood polymorphonuclear l... | 8831761 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 115.0 | nM | 6.94 | Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxyge... | 8831761 |
| Homo sapiens | IC50 | = | 140.0 | nM | 6.85 | Compound was tested for the inhibition of LTB4 production in human whole blood (... | 8831761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34213340 | 10.1021/acs.jmedchem.1c00790 | ADMET | 4 |
| 8831761 | 10.1021/jm960301c | Homo sapiens | 2 |
| 8831761 | 10.1021/jm960301c | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine