Compound Detail
CHEMBL242078
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Basic Information
| ChEMBL ID | CHEMBL242078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQZKTWBQDPHGOU-NTCAYCPXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.87
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cel... | 19233646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19233646 | 10.1016/j.bmcl.2009.02.001 | Prostaglandin G/H synthase 2 | 2 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | TK-10 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | MCF7 | 1 |
| 17383189 | 10.1016/j.bmc.2007.03.031 | HT-29 | 1 |
| 19233646 | 10.1016/j.bmcl.2009.02.001 | RAW264.7 | 1 |
| 22608392 | 10.1016/j.bmcl.2012.04.108 | 3T3-L1 | 1 |
Data from ChEMBL 36 via Core Engine