Compound Detail
CHEMBL371849
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Basic Information
| ChEMBL ID | CHEMBL371849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXHASIAFOCJRSL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.35
ALogP
5
HBA
1
HBD
87.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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 | Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degr... | 16250658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250658 | 10.1021/jm050619h | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine