Compound Detail
CHEMBL40736
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Basic Information
| ChEMBL ID | CHEMBL40736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPSJAHYNYKZLMW-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.70
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Ki 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 8.4 | 7.6 | 4.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 7.07 | 6.2533 | 85.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 4.0 | nM | 8.4 | Activity against TXA2 synthase in bovine platelet microsome | 8496929 |
| Thromboxane-A synthase | IC50 | = | 10.0 | nM | 8.0 | Activity against TXA2 synthase in bovine platelet microsome | 8496929 |
| Unchecked | Ki | = | 85.0 | nM | 7.07 | Tested for specific binding of radioligand [3H]U-46619 to thromboxane A2/prostag... | 8496929 |
| Unchecked | Ki | = | 250.0 | nM | 6.6 | Tested for specific binding of radioligand [3H]U-46619 to thromboxane A2/prostag... | 8496929 |
| Thromboxane-A synthase | IC50 | = | 400.0 | nM | 6.4 | Activity against TXA2 synthase in bovine platelet microsome | 8496929 |
| Unchecked | Ki | = | 8200.0 | nM | 5.09 | Tested for specific binding of radioligand [3H]U-46619 to thromboxane A2/prostag... | 8496929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496929 | 10.1021/jm00063a011 | Unchecked | 3 |
| 8496929 | 10.1021/jm00063a011 | Thromboxane-A synthase | 3 |
Data from ChEMBL 36 via Core Engine