Compound Detail
CHEMBL63090
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Basic Information
| ChEMBL ID | CHEMBL63090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRVPUOTYGRKZTK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.0
MW (Da)
3.86
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Kd 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | Kd | 9.4 | 9.4 | 0.4 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 0.3981 | nM | 9.4 | In vitro Thromboxane A2 (TXA2) receptor antagonism was tested by its ability to ... | 9873486 |
| Thromboxane-A synthase | IC50 | = | 39.0 | nM | 7.41 | Activity against human platelet microsome Thromboxane synthase | 9341919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9341919 | 10.1021/jm9702793 | Thromboxane A2 receptor | 1 |
| 9341919 | 10.1021/jm9702793 | Thromboxane-A synthase | 1 |
| 9873486 | 10.1016/s0960-894x(98)00242-x | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine