Compound Detail
CHEMBL595852
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Basic Information
| ChEMBL ID | CHEMBL595852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCSJZFZCTVLTID-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.36
ALogP
5
HBA
1
HBD
72.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.24 | 5.24 | 5710.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.7 | 4.7 | 20110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 5710.0 | nM | 5.24 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20004572 |
| Prostaglandin G/H synthase 2 | IC50 | = | 20110.0 | nM | 4.7 | Inhibition of COX2 assessed as PGF2alpha level by EIA | 20004572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20004572 | 10.1016/j.bmcl.2009.11.067 | RAW264.7 | 2 |
| 20004572 | 10.1016/j.bmcl.2009.11.067 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine