Compound Detail
CHEMBL378929
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c([S+]([O-])c3ccccc3)cccc21
Basic Information
| ChEMBL ID | CHEMBL378929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRMLVALLVQNILX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.0
MW (Da)
6.40
ALogP
3
HBA
1
HBD
65.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Ki | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | Ki | = | 29.0 | nM | 7.54 | Binding affinity to DP receptor | 16529930 |
| Thromboxane A2 receptor | Ki | = | 96.0 | nM | 7.02 | Binding affinity to TP 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