Compound Detail
CHEMBL3427203
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Basic Information
| ChEMBL ID | CHEMBL3427203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBAICMYWONZOSZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
2.96
ALogP
6
HBA
0
HBD
58.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 8.31 | 8.305 | 4.9 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.5 | 5.5 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 4.9 | nM | 8.31 | Inhibition of LPS-induced COX1 in human whole blood assessed as reduction in TXB... | 25768707 |
| Prostaglandin G/H synthase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of COX1 (unknown origin) | 34055228 |
| Prostaglandin G/H synthase 2 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of LPS-induced COX2 in human whole blood assessed as reduction in PGH... | 25768707 |
| Prostaglandin G/H synthase 2 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of COX2 (unknown origin) | 34055228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25768707 | 10.1016/j.ejmech.2015.02.049 | Prostaglandin G/H synthase 1 | 1 |
| 25768707 | 10.1016/j.ejmech.2015.02.049 | Prostaglandin G/H synthase 2 | 1 |
| 34055228 | 10.1021/acsmedchemlett.1c00065 | Prostaglandin G/H synthase 1 | 1 |
| 34055228 | 10.1021/acsmedchemlett.1c00065 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine