Compound Detail
CHEMBL246311
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Basic Information
| ChEMBL ID | CHEMBL246311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWQTTYNQLIMKNE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.2
MW (Da)
3.96
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.08
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.08 | 7.08 | 83.0 | 1 |
| Eosinophil CHEMBL614636 | IC50 | 6.35 | 6.35 | 448.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 83.0 | nM | 7.08 | Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells | 17531480 |
| Eosinophil | IC50 | = | 448.0 | nM | 6.35 | Inhibition of 13,14-dihydro-15-ketoprostaglandin D2-stimulated human eosinophils... | 17531480 |
| Prostaglandin D2 receptor | Ki | = | 5900.0 | nM | 5.23 | Binding affinity at prostanoid DP receptor | 17531480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17531480 | 10.1016/j.bmcl.2007.05.019 | Prostaglandin D2 receptor 2 | 1 |
| 17531480 | 10.1016/j.bmcl.2007.05.019 | Prostaglandin D2 receptor | 1 |
| 17531480 | 10.1016/j.bmcl.2007.05.019 | Eosinophil | 1 |
Data from ChEMBL 36 via Core Engine