Compound Detail
CHEMBL193753
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 | CHEMBL193753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNZRWCRCVPJLCE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Ki 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 6.34 | 6.34 | 457.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 5.66 | 5.66 | 2184.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 457.0 | nM | 6.34 | Binding affinity towards human CRTH2 receptor expressed in CHO cells | 16190744 |
| Prostaglandin D2 receptor 2 | IC50 | = | 2184.0 | nM | 5.66 | Concentration required to inhibit PGD-2 (10 nM) stimulated [Ca2+] flux in CHO ce... | 16190744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190744 | 10.1021/jm050519b | Prostaglandin D2 receptor 2 | 2 |
| 16190744 | 10.1021/jm050519b | Prostaglandin D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine