Compound Detail
CHEMBL347812
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Basic Information
| ChEMBL ID | CHEMBL347812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CARSCMJPENPADT-FSJBWODESA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.90
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.5
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | Kd | 7.5 | 7.5 | 31.6 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Kd | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 31.62 | nM | 7.5 | In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induce... | - |
| Thromboxane-A synthase | IC50 | = | 79.43 | nM | 7.1 | In vitro inhibition of collagen-induced thromboxane A2 production in human whole... | - |
| Thromboxane A2 receptor | Kd | = | 7943.28 | nM | 5.1 | In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81051-9 | Thromboxane A2 receptor | 2 |
| - | 10.1016/S0960-894X(01)81051-9 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine