Compound Detail
CHEMBL595153
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Basic Information
| ChEMBL ID | CHEMBL595153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQADCPOYZDVTID-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.68
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.68 | 4.68 | 21010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 840.0 | nM | 6.08 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20004572 |
| Prostaglandin G/H synthase 2 | IC50 | = | 21010.0 | nM | 4.68 | Inhibition of COX2 assessed as PGF2alpha level by EIA | 20004572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22349257 | 10.1016/j.bmcl.2012.01.100 | Rattus norvegicus | 14 |
| 22349257 | 10.1016/j.bmcl.2012.01.100 | RAW264.7 | 12 |
| 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 |
| 22349257 | 10.1016/j.bmcl.2012.01.100 | Prostaglandin G/H synthase 2 | 1 |
| 22349257 | 10.1016/j.bmcl.2012.01.100 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine