Compound Detail
CHEMBL2442752
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Basic Information
| ChEMBL ID | CHEMBL2442752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTDBCVHBEDQJAK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
3.31
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.83
Ki 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 6.68 | 6.68 | 208.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 147.0 | nM | 6.83 | Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as i... | 24021582 |
| Prostaglandin D2 receptor 2 | Ki | = | 208.0 | nM | 6.68 | Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO... | 24021582 |
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