Compound Detail
CHEMBL270718
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Basic Information
| ChEMBL ID | CHEMBL270718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WANOSZNOBPFLFO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
6.19
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of mPGES1-mediated PGE2 production in microsomes of IL-1beta stimulat... | 24920381 |
| Unchecked | IC50 | = | 87.0 | nM | 7.06 | Inhibition of human recombinant mPGES1 | 18029174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24920381 | 10.1021/jm500308c | Prostaglandin E synthase | 2 |
| 24920381 | 10.1021/jm500308c | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 18029174 | 10.1016/j.bmcl.2007.10.033 | Unchecked | 1 |
| 24920381 | 10.1021/jm500308c | Radical scavenging activity | 1 |
| 24920381 | 10.1021/jm500308c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine