Compound Detail
CHEMBL1088727
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Basic Information
| ChEMBL ID | CHEMBL1088727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOGPBHKELJXJPX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
6.42
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 9.0 | 8.06 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 1.0 | nM | 9.0 | Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed... | 20137942 |
| Prostaglandin D2 receptor 2 | IC50 | = | 75.0 | nM | 7.12 | Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells | 20137942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137942 | 10.1016/j.bmcl.2010.01.092 | Prostaglandin D2 receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine