Compound Detail
CHEMBL2435178
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Basic Information
| ChEMBL ID | CHEMBL2435178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLGMWLLQCXPEEQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.1
MW (Da)
5.13
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.78
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 7.22 | 7.035 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G forma... | 24060487 |
| Prostaglandin G/H synthase 2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of purified mouse COX-2 assessed as inhibition of PGE2/PGD2 formation... | 24060487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24060487 | 10.1016/j.bmcl.2013.08.097 | Prostaglandin G/H synthase 2 | 3 |
Data from ChEMBL 36 via Core Engine