Compound Detail
CHEMBL67721
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CS(=O)(=O)c1ccc(-c2nn(CC(=O)Nc3ccccc3)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL67721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRVHNSYUGHFPFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
5.42
ALogP
5
HBA
1
HBD
81.1
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 480.0 | nM | 6.32 | In vitro inhibitory concentration against human Prostaglandin G/H synthase 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00372-7 | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/S0960-894X(97)00372-7 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine