Compound Detail
CHEMBL564962
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 | CHEMBL564962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOUVVXFHPYNZOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.10
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human COX2 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 | Prostaglandin G/H synthase 2 | 1 |
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Prostaglandin G/H synthase 1 | 1 |
| 19523822 | 10.1016/j.bmcl.2009.02.089 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine