Compound Detail
CHEMBL4524932
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(CCC(=O)O)cccc1NC(=O)C(c1ccc(-c2cncc(CC(C)C)c2)cc1)C1CCCC1
Basic Information
| ChEMBL ID | CHEMBL4524932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STCYPKHHZKEGMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.7
MW (Da)
7.19
ALogP
3
HBA
2
HBD
79.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Prostaglandin E synthase CHEMBL2046261 | IC50 | 6.72 | 6.72 | 191.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infec... | 31362919 |
| Prostaglandin E synthase | IC50 | = | 191.0 | nM | 6.72 | Inhibition of mouse recombinant FLAG-tagged PTGES expressed in baculovirus infec... | 31362919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31362919 | 10.1016/j.bmcl.2019.07.007 | Prostaglandin E synthase | 2 |
| 31362919 | 10.1016/j.bmcl.2019.07.007 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine