Compound Detail
CHEMBL2442741
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Basic Information
| ChEMBL ID | CHEMBL2442741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJJUYQJUPDBUDV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.33
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 302.0 | nM | 6.52 | 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 | 1 |
Data from ChEMBL 36 via Core Engine