Compound Detail
CHEMBL596712
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Basic Information
| ChEMBL ID | CHEMBL596712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFCMQNJBQNIEHU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
5.97
ALogP
5
HBA
2
HBD
71.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.08 | 6.77 | 84.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 84.0 | nM | 7.08 | Displacement of[3H]PGD2 from human CRTH2 receptor expressed in african green mon... | 20031403 |
| Prostaglandin D2 receptor 2 | IC50 | = | 350.0 | nM | 6.46 | Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed... | 20031403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20031403 | 10.1016/j.bmcl.2009.12.008 | Prostaglandin D2 receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine