Compound Detail
CHEMBL364593
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Basic Information
| ChEMBL ID | CHEMBL364593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCCPUDPMKJXBQC-OAQYLSRUSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.48
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.0
IC50 1 meas. best 7.52
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 CHEMBL4427 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Prostaglandin D2 receptor CHEMBL4427 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL2488 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL2181 | Ki | 5.7 | 5.7 | 2000.0 | 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 | 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 | = | 30.0 | nM | 7.52 | Effect on the increase in cAMP formation induced by PGD-2 in the presence of bov... | 15341946 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 60.0 | nM | 7.22 | Ability to inhibit the binding of [3H]-PGD-2 radioligand to membranes of CHO cel... | 15341946 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 2000.0 | nM | 5.7 | 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 EP4 subtype | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine