Compound Detail
CHEMBL4763530
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Basic Information
| ChEMBL ID | CHEMBL4763530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTQWEFLWEHZGJQ-JLHYYAGUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
5.82
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM a... | 33854702 |
| Prostaglandin G/H synthase 2 | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of human recombinant COX-2 assessed as reduction in PGE2 production u... | 33854702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33854702 | 10.1021/acsmedchemlett.1c00004 | Prostaglandin G/H synthase 1 | 1 |
| 33854702 | 10.1021/acsmedchemlett.1c00004 | Prostaglandin G/H synthase 2 | 1 |
| 33854702 | 10.1021/acsmedchemlett.1c00004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine