Compound Detail
CHEMBL359564
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Basic Information
| ChEMBL ID | CHEMBL359564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSSBWOZPOQDJSI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
4.90
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL3933 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL2488 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | Ki | = | 180.0 | nM | 6.75 | Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cell... | 15341946 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 280.0 | nM | 6.55 | Ability to inhibit the binding of [3H]-PGD-2 radioligand to membranes of CHO cel... | 15341946 |
| Prostaglandin D2 receptor | Ki | = | 390.0 | nM | 6.41 | Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cell... | 15341946 |
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 3500.0 | nM | 5.46 | Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cell... | 15341946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341946 | 10.1016/j.bmcl.2004.07.039 | Prostaglandin D2 receptor | 3 |
| 15341946 | 10.1016/j.bmcl.2004.07.039 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 15341946 | 10.1016/j.bmcl.2004.07.039 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 15341946 | 10.1016/j.bmcl.2004.07.039 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 15341946 | 10.1016/j.bmcl.2004.07.039 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine