Compound Detail
CHEMBL14735
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Basic Information
| ChEMBL ID | CHEMBL14735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVJOGJFNIPVEGG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
4.12
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Prostaglandin G/H synthase 2 (COX-2). | 9544212 |
| Prostaglandin G/H synthase 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Prostaglandin G/H synthase 1 (COX-1). | 9544212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544212 | 10.1021/jm970680p | Rattus norvegicus | 1 |
| 9544212 | 10.1021/jm970680p | Prostaglandin G/H synthase 1 | 1 |
| 9544212 | 10.1021/jm970680p | Prostaglandin G/H synthase 2 | 1 |
| 9544212 | 10.1021/jm970680p | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine