Compound Detail
CHEMBL275241
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
Basic Information
| ChEMBL ID | CHEMBL275241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKMQWFRCMFOWQD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.08
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase CHEMBL4334 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.87 | 5.87 | 1356.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase | IC50 | = | 900.0 | nM | 6.05 | Concentration required to inhibit 50% activity of prostaglandin synthetase was d... | 1900533 |
| Mus musculus | IC50 | = | 1356.0 | nM | 5.87 | Concentration required to inhibit electrically induced contractions in isolated ... | 7636873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636873 | 10.1021/jm00016a013 | Cannabinoid receptor 1 | 1 |
| 7636873 | 10.1021/jm00016a013 | Mus musculus | 1 |
| 1900533 | 10.1021/jm00107a034 | Prostaglandin-H2 D-isomerase | 1 |
| 1900533 | 10.1021/jm00107a034 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine