Compound Detail
CHEMBL12955
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Basic Information
| ChEMBL ID | CHEMBL12955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBCDWBYXYFIYSV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.09
ALogP
5
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase CHEMBL4334 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase | IC50 | = | 1400.0 | nM | 5.85 | Concentration required to inhibit 50% activity of prostaglandin synthetase was d... | 1900533 |
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