Compound Detail
CHEMBL1917462
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Basic Information
| ChEMBL ID | CHEMBL1917462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEYDGQLGRXJVCH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.3
MW (Da)
4.89
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Displacement of [3H]PGD2 from human CRTH2 receptor | 21944852 |
| Prostaglandin D2 receptor 2 | Ki | = | 58.0 | nM | 7.24 | Inhibition of CRTH2 | 22224640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944852 | 10.1016/j.bmcl.2011.08.124 | Prostaglandin D2 receptor 2 | 1 |
| 21944852 | 10.1016/j.bmcl.2011.08.124 | No relevant target | 1 |
| 22224640 | 10.1021/jm2013997 | Prostaglandin D2 receptor 2 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine