Compound Detail
CHEMBL394497
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 | CHEMBL394497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZLKPPSJSXVBKA-JTQLQIEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.8
MW (Da)
4.24
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 5.35 | 5.35 | 4490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 75.0 | nM | 7.12 | Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells | 17531480 |
| Prostaglandin D2 receptor | Ki | = | 4490.0 | nM | 5.35 | Binding affinity at prostanoid DP receptor | 17531480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17531480 | 10.1016/j.bmcl.2007.05.019 | Prostaglandin D2 receptor 2 | 1 |
| 17531480 | 10.1016/j.bmcl.2007.05.019 | Prostaglandin D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine