Compound Detail
CHEMBL414824
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 | CHEMBL414824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMLDPXXCYIXDSG-MDZDMXLPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
5.55
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.79
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2094253 | IC50 | 6.58 | 6.375 | 260.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of human platelet Prostaglandin G/H synthase | 2113949 |
| Cyclooxygenase | IC50 | = | 670.0 | nM | 6.17 | Inhibitory concentration required for inhibition of Prostaglandin G/H synthase | 2491889 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human neutrophil 5-lipoxygenase | 2113949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2491889 | 10.1021/jm00121a021 | Rattus norvegicus | 7 |
| 2113949 | 10.1021/jm00169a010 | Cavia porcellus | 6 |
| 2491889 | 10.1021/jm00121a021 | Cyclooxygenase | 3 |
| 2491889 | 10.1021/jm00121a021 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2113949 | 10.1021/jm00169a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2113949 | 10.1021/jm00169a010 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine