Compound Detail
CHEMBL1780184
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Basic Information
| ChEMBL ID | CHEMBL1780184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URSICMCCELQDGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.0
MW (Da)
5.93
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed... | 21570310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570310 | 10.1016/j.bmc.2011.04.034 | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
| 21570310 | 10.1016/j.bmc.2011.04.034 | Prostaglandin E synthase | 1 |
| 21570310 | 10.1016/j.bmc.2011.04.034 | A549 | 1 |
Data from ChEMBL 36 via Core Engine