Compound Detail
CHEMBL51434
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Basic Information
| ChEMBL ID | CHEMBL51434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRCURVJXQGLLOZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.70
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.0 | 7.11 | 10.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.33 | 5.165 | 4700.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory activity against human whole cells (CHO) Prostaglandin G/H s... | 10406640 |
| Prostaglandin G/H synthase 2 | IC50 | = | 600.0 | nM | 6.22 | In vitro inhibitory activity against human whole blood Prostaglandin G/H synthas... | 10406640 |
| Prostaglandin G/H synthase 1 | IC50 | = | 4700.0 | nM | 5.33 | In vitro inhibitory activity against human whole cells Prostaglandin G/H synthas... | 10406640 |
| Prostaglandin G/H synthase 2 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of ovine COX-2 assessed as using arachidonic acid as substrate preinc... | 23735281 |
| Prostaglandin G/H synthase 1 | IC50 | = | 10000.0 | nM | 5.0 | In vitro inhibitory activity against human whole blood Prostaglandin G/H synthas... | 10406640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23735281 | 10.1016/j.ejmech.2013.04.062 | PC-3 | 3 |
| 10406640 | 10.1016/s0960-894x(99)00288-7 | Prostaglandin G/H synthase 2 | 2 |
| 10406640 | 10.1016/s0960-894x(99)00288-7 | Prostaglandin G/H synthase 1 | 2 |
| 10406640 | 10.1016/s0960-894x(99)00288-7 | Unchecked | 2 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | Prostaglandin G/H synthase 2 | 2 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | Prostaglandin G/H synthase 1 | 1 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine