Compound Detail
CHEMBL490460
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 | CHEMBL490460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFNRZHHIOIJKGR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.8
MW (Da)
5.60
ALogP
4
HBA
3
HBD
74.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.62 | 6.385 | 240.0 | 2 |
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.8 | 5.45 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli ass... | 19492852 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 710.0 | nM | 6.15 | Inhibition of 5-lipoxygenase in A-23817-challenged human neutrophils assessed as... | 19492852 |
| Prostaglandin E synthase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of mPGES1 in IL1-beta induced human A549 cell microsomal membrane ass... | 19884011 |
| Prostaglandin E synthase | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of mPGES1 in IL1-beta induced human A549 cells assessed as PGE2 produ... | 19884011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin E synthase | 5 |
| 19492852 | 10.1021/jm900212y | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin G/H synthase 2 | 2 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin G/H synthase 1 | 2 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | A549 | 1 |
Data from ChEMBL 36 via Core Engine