Compound Detail
CHEMBL13463
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 | CHEMBL13463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXWSEKFRRDMPBM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.90
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase CHEMBL4334 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase | IC50 | = | 12000.0 | nM | 4.92 | Concentration required to inhibit 50% activity of prostaglandin synthetase was d... | 1900533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1900533 | 10.1021/jm00107a034 | Prostaglandin-H2 D-isomerase | 1 |
| 1900533 | 10.1021/jm00107a034 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine