Compound Detail
CHEMBL182555
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Basic Information
| ChEMBL ID | CHEMBL182555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSIPEEIFZHZSBZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.44
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor CHEMBL3933 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Prostaglandin D2 receptor CHEMBL3933 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL2488 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor | Ki | = | 10.0 | nM | 8.0 | Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cell... | 15341946 |
| Prostaglandin D2 receptor | IC50 | = | 300.0 | nM | 6.52 | Effect on the increase in cAMP formation induced by PGD-2 in the presence of bov... | 15341946 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 2000.0 | nM | 5.7 | Ability to inhibit the binding of [3H]-PGD-2 radioligand to membranes of CHO cel... | 15341946 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 3300.0 | nM | 5.48 | 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