Compound Detail
CHEMBL194085
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 | CHEMBL194085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NONWUVBJQKYHHO-CQSZACIVSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
2.70
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.42
Ki 3 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 9.29 | 9.29 | 0.5 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 8.42 | 8.42 | 3.8 | 2 |
| Thromboxane A2 receptor CHEMBL2069 | Ki | 6.27 | 6.27 | 540.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 0.51 | nM | 9.29 | Inhibition of [3H]PGD-2 binding to human chemoattractant receptor-homologous mol... | 15715457 |
| Prostaglandin D2 receptor 2 | IC50 | = | 3.8 | nM | 8.42 | Inhibition of PGD2-induced inositol phosphate formation at human chemoattractant... | 15715457 |
| Prostaglandin D2 receptor 2 | IC50 | = | 3.8 | nM | 8.42 | Inhibition of beta-arrestin translocation at human chemoattractant receptor-homo... | 15715457 |
| Thromboxane A2 receptor | Ki | = | 540.0 | nM | 6.27 | Inhibition of [3H]SQ-29,548 binding to human Thromboxane A2 receptor | 15715457 |
| Thromboxane A2 receptor | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of U-46,619-induced inositol phosphate accumulation at human Thrombox... | 15715457 |
| Prostaglandin D2 receptor | Ki | = | 5300.0 | nM | 5.28 | Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor | 15715457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715457 | 10.1021/jm049036i | Prostaglandin D2 receptor 2 | 3 |
| 15715457 | 10.1021/jm049036i | Thromboxane A2 receptor | 3 |
| 15715457 | 10.1021/jm049036i | Prostaglandin D2 receptor | 2 |
Data from ChEMBL 36 via Core Engine