Compound Detail
CHEMBL492959
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Basic Information
| ChEMBL ID | CHEMBL492959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKKXNGSRSNONCJ-ZHACJKMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.31
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cel... | 19233646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19233646 | 10.1016/j.bmcl.2009.02.001 | Prostaglandin G/H synthase 2 | 2 |
| 24565968 | 10.1016/j.bmc.2014.01.058 | NON-PROTEIN TARGET | 2 |
| 19233646 | 10.1016/j.bmcl.2009.02.001 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine