Compound Detail
CHEMBL362242
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL362242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSRCKLCZCMWKGS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.1
MW (Da)
8.64
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase 2 CHEMBL4411 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Prostaglandin E synthase CHEMBL5658 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase 2 | IC50 | = | 16.0 | nM | 7.8 | Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1) | 15953724 |
| Unchecked | IC50 | = | 16.0 | nM | 7.8 | Inhibition of mPGES1 expressed in human HeLa cells assessed as inhibition of IL-... | 20025212 |
| Prostaglandin E synthase | IC50 | = | 16.0 | nM | 7.8 | Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition ... | 21466167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15953724 | 10.1016/j.bmcl.2005.05.027 | Prostaglandin E synthase 2 | 1 |
| 20025212 | 10.1021/jm9012505 | Unchecked | 1 |
| 21466167 | 10.1021/jm101309g | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine