Compound Detail
CHEMBL595596
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Basic Information
| ChEMBL ID | CHEMBL595596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGSCBZRFFRZCGJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
1.67
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.57 | 5.57 | 2690.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.79 | 4.79 | 16040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2690.0 | nM | 5.57 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20004572 |
| Prostaglandin G/H synthase 2 | IC50 | = | 16040.0 | nM | 4.79 | 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