Compound Detail
CHEMBL4086277
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Basic Information
| ChEMBL ID | CHEMBL4086277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKTZDUXKWPIHAY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.99
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Ki 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 6.0 | nM | 8.22 | Antagonist activity at DP2 receptor in human isolated eosinophils assessed as in... | 28523115 |
| Prostaglandin D2 receptor 2 | Ki | = | 47.0 | nM | 7.33 | Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes... | 28523115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28523115 | 10.1021/acsmedchemlett.7b00157 | Prostaglandin D2 receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine