Compound Detail
CHEMBL261604
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Basic Information
| ChEMBL ID | CHEMBL261604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXXDMZILWKTCLN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.8
MW (Da)
5.02
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human recombinant mPGES1 | 18029174 |
| Prostaglandin E synthase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
| A549 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of IL-1-beta-stimulated PGE2 production in human A549 cells in presen... | 18029174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18029174 | 10.1016/j.bmcl.2007.10.033 | Unchecked | 1 |
| 18029174 | 10.1016/j.bmcl.2007.10.033 | A549 | 1 |
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine