Compound Detail
CHEMBL12566
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Basic Information
| ChEMBL ID | CHEMBL12566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZXYCRJWCYISME-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.98
ALogP
5
HBA
1
HBD
54.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase CHEMBL4334 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase | IC50 | = | 570.0 | nM | 6.24 | Concentration required to inhibit 50% activity of prostaglandin synthetase was d... | 1900533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1900533 | 10.1021/jm00107a034 | Mus musculus | 2 |
| 1900533 | 10.1021/jm00107a034 | Prostaglandin-H2 D-isomerase | 1 |
| 9804691 | 10.1021/jm980305c | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine