Compound Detail
CHEMBL216122
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Basic Information
| ChEMBL ID | CHEMBL216122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYYXAWRBGGVRCB-AWQFTUOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
1.65
ALogP
6
HBA
2
HBD
105.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | IC50 | 4.89 | 4.49 | 12800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | IC50 | = | 12800.0 | nM | 4.89 | Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells | 17154491 |
| Prostaglandin D2 receptor 2 | IC50 | = | 81700.0 | nM | 4.09 | Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induce... | 17154491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154491 | 10.1021/jm060657g | Prostaglandin D2 receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine