Compound Detail
CHEMBL4286390
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Basic Information
| ChEMBL ID | CHEMBL4286390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAELAQULTUXZTM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
3.97
ALogP
9
HBA
1
HBD
112.1
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.93 | 4.93 | 11860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha producti... | 29289887 |
| Prostaglandin G/H synthase 1 | IC50 | = | 11860.0 | nM | 4.93 | Inhibition of ovine COX1 assessed as reduction in PGF2alpha production using ara... | 29289887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29289887 | 10.1016/j.ejmech.2017.12.065 | Prostaglandin G/H synthase 1 | 1 |
| 29289887 | 10.1016/j.ejmech.2017.12.065 | Prostaglandin G/H synthase 2 | 1 |
| 29289887 | 10.1016/j.ejmech.2017.12.065 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine