Compound Detail
CHEMBL1933763
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
CCCCNC(=O)c1ccc(Oc2ccc(C(F)(F)C(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL1933763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWQAIZAUDXJAHS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
617.5
MW (Da)
6.30
ALogP
6
HBA
3
HBD
131.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | IC50 | 8.52 | 7.6 | 3.0 | 2 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | IC50 | = | 3.0 | nM | 8.52 | Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scinti... | 22119474 |
| Prostaglandin D2 receptor | IC50 | = | 210.0 | nM | 6.68 | Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scinti... | 22119474 |
| Prostaglandin D2 receptor 2 | IC50 | = | 420.0 | nM | 6.38 | Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by sci... | 22119474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22119474 | 10.1016/j.bmcl.2011.10.123 | Prostaglandin D2 receptor | 3 |
| 22119474 | 10.1016/j.bmcl.2011.10.123 | Prostaglandin D2 receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine