Compound Detail
CHEMBL110513
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Basic Information
| ChEMBL ID | CHEMBL110513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBOOLBFFAHHFCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
2.38
ALogP
5
HBA
2
HBD
65.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | EC50 | 5.97 | 5.97 | 1070.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 4.18 | 4.18 | 65900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | EC50 | = | 1070.0 | nM | 5.97 | In vitro inhibition of ionophore stimulated LTB4 release from human peripheral b... | 1324317 |
| Mus musculus | EC50 | = | 65900.0 | nM | 4.18 | In vivo 5-Lipoxygenase inhibitory activity by using mouse zymosan peritonitis mo... | 1324317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1324317 | 10.1021/jm00095a012 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1324317 | 10.1021/jm00095a012 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine