Compound Detail
CHEMBL591519
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Basic Information
| ChEMBL ID | CHEMBL591519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFGFPCQTDIRWHS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
4.83
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.0 | 6.445 | 100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 100.0 | nM | 7.0 | Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells | 20022749 |
| Prostaglandin D2 receptor 2 | IC50 | = | 100.0 | nM | 7.0 | Displacement of[3H]PGD2 from human CRTH2 receptor expressed in african green mon... | 20031403 |
| Prostaglandin D2 receptor 2 | IC50 | = | 1300.0 | nM | 5.89 | Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed... | 20022749 |
| Prostaglandin D2 receptor 2 | IC50 | = | 1300.0 | nM | 5.89 | Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed... | 20031403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20022749 | 10.1016/j.bmcl.2009.12.015 | Prostaglandin D2 receptor 2 | 3 |
| 20031403 | 10.1016/j.bmcl.2009.12.008 | Prostaglandin D2 receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine