Compound Detail
CHEMBL557457
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Basic Information
| ChEMBL ID | CHEMBL557457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTDZITUKXHOIAB-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.12
ALogP
7
HBA
1
HBD
132.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.32
IC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.32 | 7.32 | 48.0 | 2 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 6.56 | 6.56 | 276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 48.0 | nM | 7.32 | Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells | 19592244 |
| Prostaglandin D2 receptor 2 | Ki | = | 48.0 | nM | 7.32 | Displacement of [3H]-PGD2 from human CRTh2 expressed in CHO-K1 cell membranes in... | - |
| Prostaglandin D2 receptor 2 | IC50 | = | 276.0 | nM | 6.56 | Antagonist activity against human CRTh2 expressed in CHO-K1 cells assessed as in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19592244 | 10.1016/j.bmcl.2009.06.042 | Prostaglandin D2 receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine