Compound Detail
CHEMBL1289984
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Basic Information
| ChEMBL ID | CHEMBL1289984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USPFQIRXYBZUPX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.9
MW (Da)
4.78
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 5.31 | 5.31 | 4850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | Ki | = | 0.89 | nM | 9.05 | Antagonist activity at prostanoid DP1 receptor | 21036609 |
| Thromboxane A2 receptor | Ki | = | 2.51 | nM | 8.6 | Antagonist activity at prostanoid TP receptor | 21036609 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 4850.0 | nM | 5.31 | Inhibition of PDE2 (unknown origin) | 29534798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21036609 | 10.1016/j.bmcl.2010.10.018 | Prostaglandin D2 receptor | 1 |
| 21036609 | 10.1016/j.bmcl.2010.10.018 | Thromboxane A2 receptor | 1 |
| 21036609 | 10.1016/j.bmcl.2010.10.018 | Unchecked | 1 |
| 29534798 | 10.1016/j.bmcl.2018.01.039 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine