Compound Detail
CHEMBL208596
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Basic Information
| ChEMBL ID | CHEMBL208596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOXVIHCDCWSEJJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
4.73
ALogP
3
HBA
2
HBD
62.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Ki | 8.11 | 8.11 | 7.8 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Ki | = | 7.8 | nM | 8.11 | Binding affinity to TP receptor | 16529930 |
| Prostaglandin D2 receptor | Ki | = | 16.0 | nM | 7.8 | Binding affinity to DP receptor | 16529930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16529930 | 10.1016/j.bmcl.2006.02.062 | Prostaglandin D2 receptor | 1 |
| 16529930 | 10.1016/j.bmcl.2006.02.062 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine