Compound Detail
CHEMBL44244
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Cc1c(S(=O)(=O)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL44244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTMKEINUHDKOBD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
4.29
ALogP
5
HBA
0
HBD
73.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibitory activity against human prostaglandin G/H synthase 2 | 9171872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171872 | 10.1021/jm970036a | Prostaglandin G/H synthase 2 | 1 |
| 9171872 | 10.1021/jm970036a | Prostaglandin G/H synthase 1 | 1 |
| 9171872 | 10.1021/jm970036a | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine