Compound Detail
CHEMBL518987
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
Basic Information
| ChEMBL ID | CHEMBL518987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXJFHHCBCZJNEC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
6.80
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 8.94 | 8.94 | 1.1 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Ki | 6.2 | 6.2 | 626.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | Ki | = | 1.14 | nM | 8.94 | Displacement of radioligand from human recombinant DP1 receptor expressed in HEK... | 19307115 |
| Thromboxane A2 receptor | Ki | = | 626.0 | nM | 6.2 | Displacement of radioligand from human recombinant TP receptor expressed in HEK2... | 19307115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19307115 | 10.1016/j.bmcl.2009.03.010 | Prostaglandin D2 receptor | 1 |
| 19307115 | 10.1016/j.bmcl.2009.03.010 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine