Compound Detail
CHEMBL519521
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Basic Information
| ChEMBL ID | CHEMBL519521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHNVXSSFYWVUAO-GIJQJNRQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.24
ALogP
4
HBA
1
HBD
79.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.18 | 4.18 | 65720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 65720.0 | nM | 4.18 | Inhibition of COX2 | 20576329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20576329 | 10.1016/j.ejmech.2010.05.065 | NON-PROTEIN TARGET | 4 |
| 19329330 | 10.1016/j.bmc.2009.03.020 | Thymidine phosphorylase | 1 |
| 20576329 | 10.1016/j.ejmech.2010.05.065 | Prostaglandin G/H synthase 2 | 1 |
| 20576329 | 10.1016/j.ejmech.2010.05.065 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine