Compound Detail
CHEMBL1644209
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 | CHEMBL1644209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYAWAXOLOBCSIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.3
MW (Da)
3.75
ALogP
6
HBA
2
HBD
87.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | IC50 | = | 7.079 | nM | 8.15 | Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed ... | 21147533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21147533 | 10.1016/j.bmcl.2010.11.071 | Prostaglandin D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine