Compound Detail
CHEMBL210471
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Basic Information
| ChEMBL ID | CHEMBL210471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOFDECJHZOIDID-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
4.64
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 6.37 | 6.37 | 431.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | Ki | = | 1.9 | nM | 8.72 | Binding affinity to DP receptor | 16529930 |
| Thromboxane A2 receptor | Ki | = | 5.1 | nM | 8.29 | Binding affinity to TP receptor | 16529930 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 431.0 | nM | 6.37 | Inhibition of PDE2 (unknown origin) | 29534798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16529930 | 10.1016/j.bmcl.2006.02.062 | Prostaglandin D2 receptor | 1 |
| 16529930 | 10.1016/j.bmcl.2006.02.062 | Thromboxane A2 receptor | 1 |
| 29534798 | 10.1016/j.bmcl.2018.01.039 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine