Compound Detail
CHEMBL280890
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Basic Information
| ChEMBL ID | CHEMBL280890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCEWBDHVSXMPDT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
499.0
MW (Da)
4.22
ALogP
6
HBA
2
HBD
110.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.48
Kd 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 8.1 | 8.1 | 8.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 8.0 | nM | 8.1 | In vitro binding affinity was determined for platelet thromboxane receptor in pr... | - |
| Thromboxane A2 receptor | IC50 | = | 330.0 | nM | 6.48 | In vitro inhibition against TXA2/PGH2 receptor using [3H]-SQ 29,548 as radioliga... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80330-3 | Thromboxane A2 receptor | 2 |
Data from ChEMBL 36 via Core Engine