Compound Detail
CHEMBL99041
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Basic Information
| ChEMBL ID | CHEMBL99041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGZOJGNFCHGAFI-ZVHZXABRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.46
ALogP
4
HBA
3
HBD
100.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.43
Kd 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 6.77 | 6.77 | 171.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.43 | 5.885 | 370.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 171.0 | nM | 6.77 | The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to ... | 1910091 |
| Homo sapiens | IC50 | = | 370.0 | nM | 6.43 | The compound was tested for inhibition of arachidonic acid(800 uM) induced plate... | 1910091 |
| Homo sapiens | IC50 | = | 4600.0 | nM | 5.34 | 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 | Mus musculus | 2 |
| 1910091 | 10.1021/jm00113a030 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine