Compound Detail
CHEMBL4755592
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4755592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLZZRIPYAFNCRW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.72
ALogP
5
HBA
1
HBD
66.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.51 | 4.51 | 30600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant ovine COX1 | 34055228 |
| Prostaglandin G/H synthase 1 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level in... | 34055228 |
| Prostaglandin G/H synthase 2 | IC50 | = | 30600.0 | nM | 4.51 | Inhibition of recombinant human COX2 | 34055228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34055228 | 10.1021/acsmedchemlett.1c00065 | Prostaglandin G/H synthase 1 | 2 |
| 34055228 | 10.1021/acsmedchemlett.1c00065 | Prostaglandin G/H synthase 2 | 1 |
| 34055228 | 10.1021/acsmedchemlett.1c00065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine