Compound Detail
CHEMBL52749
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL52749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBHHGFYZYYREGP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.23
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of rat polymorphonuclear leukocyte 5-lipoxygenase | 2502629 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase | 2502629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2502629 | 10.1021/jm00128a027 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2502629 | 10.1021/jm00128a027 | Arachidonate 12-lipoxygenase | 1 |
| 2502629 | 10.1021/jm00128a027 | Cyclooxygenase | 1 |
| 2502629 | 10.1021/jm00128a027 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine