Compound Detail
CHEMBL3775974
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Basic Information
| ChEMBL ID | CHEMBL3775974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRGQLLRCYOLDKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
493.2
MW (Da)
3.81
ALogP
4
HBA
1
HBD
78.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of COX-2 (unknown origin) | 26898334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26898334 | 10.1016/j.bmcl.2016.02.029 | COX-1/COX-2 | 1 |
| 26898334 | 10.1016/j.bmcl.2016.02.029 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine