Compound Detail
CHEMBL550537
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 | CHEMBL550537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMHYAXLRTPAZFX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.74
ALogP
5
HBA
0
HBD
69.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as... | 19520573 |
| Prostaglandin G/H synthase 1 | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of human COX1 expressed in baculovirus-infected SF9 cells assessed as... | 19520573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19520573 | 10.1016/j.bmcl.2009.02.085 | Unchecked | 1 |
| 19520573 | 10.1016/j.bmcl.2009.02.085 | Prostaglandin G/H synthase 1 | 1 |
| 19520573 | 10.1016/j.bmcl.2009.02.085 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine