Compound Detail
CHEMBL318673
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Basic Information
| ChEMBL ID | CHEMBL318673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFLGDEPZDPAZLY-ZMOGYAJESA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.29
ALogP
5
HBA
3
HBD
109.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Kd 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 5.92 | 5.92 | 1196.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.14 | 4.87 | 7200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 1196.0 | nM | 5.92 | The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to ... | 1910091 |
| Homo sapiens | IC50 | = | 7200.0 | nM | 5.14 | The compound was tested for inhibition of arachidonic acid(800 uM) induced plate... | 1910091 |
| Homo sapiens | IC50 | = | 25000.0 | nM | 4.6 | The compound was tested for inhibition of U-46,619(10 uM) induced platelet aggre... | 1910091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1910091 | 10.1021/jm00113a030 | Homo sapiens | 2 |
| 1910091 | 10.1021/jm00113a030 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine