Compound Detail
CHEMBL602247
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Basic Information
| ChEMBL ID | CHEMBL602247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZUCRZKNXXRCTI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.2
MW (Da)
3.28
ALogP
4
HBA
0
HBD
89.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2649 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 470.0 | nM | 6.33 | Inhibition of LOX5 in human PMBL by enzyme immunoassay | 20056549 |
| Prostaglandin G/H synthase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of COX1 in mouse RAW264.7 cells by enzyme immunoassay | 20056549 |
| Prostaglandin G/H synthase 2 | IC50 | = | 18100.0 | nM | 4.74 | Inhibition of COX2 in mouse RAW264.7 cells by enzyme immunoassay | 20056549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20056549 | 10.1016/j.bmc.2009.12.008 | Prostaglandin G/H synthase 2 | 2 |
| 20056549 | 10.1016/j.bmc.2009.12.008 | Prostaglandin G/H synthase 1 | 2 |
| 20056549 | 10.1016/j.bmc.2009.12.008 | THP-1 | 1 |
| 20056549 | 10.1016/j.bmc.2009.12.008 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine