Compound Detail
CHEMBL4166395
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Basic Information
| ChEMBL ID | CHEMBL4166395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUYJLQZOCUZMJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
2.25
ALogP
4
HBA
4
HBD
99.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.9 | 4.9 | 12490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 12490.0 | nM | 4.9 | Inhibition of human recombinant COX2 using arachidonic acid as substrate preincu... | 29655084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29655084 | 10.1016/j.ejmech.2018.04.007 | Prostaglandin G/H synthase 2 | 2 |
| 29655084 | 10.1016/j.ejmech.2018.04.007 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine