Compound Detail
CHEMBL1630249
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Basic Information
| ChEMBL ID | CHEMBL1630249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADUDQKMQQHYYGO-GFCCVEGCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.7
MW (Da)
4.08
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human COX2 | 20709553 |
| Prostaglandin G/H synthase 1 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of human COX1 | 20709553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20709553 | 10.1016/j.bmcl.2010.07.054 | Prostaglandin G/H synthase 1 | 1 |
| 20709553 | 10.1016/j.bmcl.2010.07.054 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine