Compound Detail
CHEMBL360742
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CC(C)c1ccc2c(c1)c(Cc1ccc(C(C)(C)C)cc1)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL360742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUVIHOCKMYAAJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.1
MW (Da)
9.01
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase 2 CHEMBL4411 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase 2 | IC50 | = | 290.0 | nM | 6.54 | Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1) | 15953724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15953724 | 10.1016/j.bmcl.2005.05.027 | Prostaglandin E synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine