Compound Detail
CHEMBL2442751
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Basic Information
| ChEMBL ID | CHEMBL2442751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSNSTDVQWKJMHC-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
2.93
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Ki 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.62 | 7.1 | 24.0 | 3 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 6.83 | 6.83 | 147.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 24.0 | nM | 7.62 | Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as i... | 24021582 |
| Prostaglandin D2 receptor 2 | IC50 | = | 143.0 | nM | 6.84 | Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as i... | 24021582 |
| Prostaglandin D2 receptor 2 | IC50 | = | 144.0 | nM | 6.84 | Antagonist activity against human CRTh2 expressed in CHO-K1 cells assessed as in... | - |
| Prostaglandin D2 receptor 2 | Ki | = | 147.0 | nM | 6.83 | Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO... | 24021582 |
| Prostaglandin D2 receptor 2 | Ki | = | 147.0 | nM | 6.83 | Displacement of [3H]-PGD2 from human CRTh2 expressed in CHO-K1 cell membranes in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24021582 | 10.1016/j.bmc.2013.08.025 | Prostaglandin D2 receptor 2 | 4 |
Data from ChEMBL 36 via Core Engine