Compound Detail
CHEMBL1088284
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Basic Information
| ChEMBL ID | CHEMBL1088284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACFQRXVIUVXHIY-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
5.37
ALogP
3
HBA
1
HBD
63.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 10.92 | 9.82 | 0.0 | 2 |
| Prostaglandin D2 receptor 2 CHEMBL2291 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL1075112 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| Chemoattractant receptor-homologous molecule expressed on Th2 cells CHEMBL1075058 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Prostaglandin D2 receptor CHEMBL3933 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 0.012 | nM | 10.92 | Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed... | 20137942 |
| Prostaglandin D2 receptor 2 | IC50 | = | 1.9 | nM | 8.72 | Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells | 20137942 |
| Prostaglandin D2 receptor 2 | IC50 | = | 3.4 | nM | 8.47 | Inhibition of mouse CRTH2 receptor | 20137942 |
| Prostaglandin D2 receptor 2 | IC50 | = | 7.5 | nM | 8.12 | Inhibition of rat CRTH2 receptor | 20137942 |
| Chemoattractant receptor-homologous molecule expressed on Th2 cells | IC50 | = | 29.0 | nM | 7.54 | Inhibition of guinea pig CRTH2 receptor | 20137942 |
| Prostaglandin D2 receptor | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of mouse DP receptor | 20137942 |
| Prostaglandin D2 receptor | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of human DP receptor | 20137942 |
| Thromboxane A2 receptor | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of thromboxane A2 receptor | 20137942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137942 | 10.1016/j.bmcl.2010.01.092 | Prostaglandin D2 receptor 2 | 5 |
| 20137942 | 10.1016/j.bmcl.2010.01.092 | Prostaglandin D2 receptor | 2 |
| 20137942 | 10.1016/j.bmcl.2010.01.092 | Chemoattractant receptor-homologous molecule expressed on Th2 cells | 1 |
| 20137942 | 10.1016/j.bmcl.2010.01.092 | Unchecked | 1 |
| 20137942 | 10.1016/j.bmcl.2010.01.092 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine