Compound Detail
CHEMBL289076
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Basic Information
| ChEMBL ID | CHEMBL289076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHBZPHQXNIVUSA-ATJXCDBQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.71
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 120.0 | nM | 6.92 | Tested for specific binding of radioligand [3H]U-46619 to thromboxane A2 /prosta... | 8496929 |
| Thromboxane-A synthase | IC50 | = | 1900.0 | nM | 5.72 | Activity against TXA2 synthase in bovine platelet microsome | 8496929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496929 | 10.1021/jm00063a011 | Unchecked | 1 |
| 8496929 | 10.1021/jm00063a011 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine