Compound Detail
CHEMBL552145
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Basic Information
| ChEMBL ID | CHEMBL552145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGXSMAYXKHOHSL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.14
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.28 | 5.28 | 5263.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.53 | 4.53 | 29371.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 5263.0 | nM | 5.28 | Inhibition of human COX2 expressed in african green monkey COS cells assessed as... | 19523822 |
| Prostaglandin G/H synthase 1 | IC50 | = | 29371.0 | nM | 4.53 | Inhibition of human COX1 expressed in african green monkey COS cells assessed as... | 19523822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Unchecked | 1 |
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Prostaglandin G/H synthase 2 | 1 |
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine