Compound Detail
CHEMBL284914
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Basic Information
| ChEMBL ID | CHEMBL284914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JINJJDHGBJMQJW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.2
MW (Da)
5.86
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.32 | 5.32 | 4786.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 55.0 | nM | 7.26 | In vitro inhibitory concentration required to block recombinant human prostaglan... | 9135032 |
| Prostaglandin G/H synthase 2 | IC50 | = | 4786.3 | nM | 5.32 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 4790.0 | nM | 5.32 | In vitro inhibitory concentration required to block human recombinant prostaglan... | 9135032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 1 | 1 |
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine