Compound Detail
CHEMBL549587
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Basic Information
| ChEMBL ID | CHEMBL549587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRZHSLYKMRBSTN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.21
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 6.55 | 6.55 | 282.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 282.0 | nM | 6.55 | Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells | 19592244 |
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