Compound Detail
CHEMBL29423
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Basic Information
| ChEMBL ID | CHEMBL29423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDVMVFHKIXFZDK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
4.52
ALogP
5
HBA
1
HBD
87.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.37 | 7.185 | 43.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.07 | 5.07 | 8490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of recombinant human COX-2 by enzyme immunoassay | 35685617 |
| Prostaglandin G/H synthase 2 | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibitory concentration required to block human recombinant prostaglan... | 9135032 |
| Prostaglandin G/H synthase 1 | IC50 | = | 8490.0 | nM | 5.07 | In vitro inhibitory concentration required to block recombinant human prostaglan... | 9135032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 1 | 1 |
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 2 | 1 |
| 35685617 | 10.1039/d1md00280e | Unchecked | 1 |
| 35685617 | 10.1039/d1md00280e | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine