Compound Detail
CHEMBL109486
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Basic Information
| ChEMBL ID | CHEMBL109486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIILQINDRFMPIR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
4.33
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.18 | 5.18 | 6600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 6606.93 | nM | 5.18 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 6600.0 | nM | 5.18 | Tested for inhibition against Prostaglandin G/H synthase 2 | 7966148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 7966148 | 10.1021/jm00049a005 | Prostaglandin G/H synthase 1 | 1 |
| 7966148 | 10.1021/jm00049a005 | Prostaglandin G/H synthase 2 | 1 |
| 7966148 | 10.1021/jm00049a005 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine