Compound Detail
CHEMBL46571
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Basic Information
| ChEMBL ID | CHEMBL46571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMLBTGWLFUJNGP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.43
ALogP
4
HBA
1
HBD
60.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.5 | 7.5 | 32.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 32.0 | nM | 7.5 | Compound was tested for the ability to inhibit human platelets microsomal Thromb... | - |
| Thromboxane-A synthase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of TXA2 synthetase from human platelets | 3091830 |
| Thromboxane-A synthase | IC50 | = | 32.0 | nM | 7.5 | Inhibitory concentration against thromboxane A2 synthase | 16220969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3091830 | 10.1021/jm00159a013 | ADMET | 2 |
| - | 10.1016/0960-894X(95)00529-4 | Thromboxane-A synthase | 1 |
| - | 10.1016/0960-894X(95)00529-4 | Thromboxane A2 receptor | 1 |
| 3091830 | 10.1021/jm00159a013 | Thromboxane-A synthase | 1 |
| 3091830 | 10.1021/jm00159a013 | Cyclooxygenase | 1 |
| 16220969 | 10.1021/jm058225d | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine