Compound Detail
CHEMBL131949
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Basic Information
| ChEMBL ID | CHEMBL131949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJWRPCVIESFTGA-KNTRCKAVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
2.50
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 75.0 | nM | 7.12 | TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human... | 8831771 |
| Thromboxane A2 receptor | IC50 | = | 20000.0 | nM | 4.7 | TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the ... | 8831771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831771 | 10.1021/jm960341g | Thromboxane A2 receptor | 1 |
| 8831771 | 10.1021/jm960341g | Thromboxane-A synthase | 1 |
| 8831771 | 10.1021/jm960341g | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine