Compound Detail
CHEMBL1957430
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Basic Information
| ChEMBL ID | CHEMBL1957430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPYAKNLHOYCWAN-AAXUHFPESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
4.00
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL2488 | Ki | 7.04 | 7.04 | 91.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | Ki | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 6... | 22386979 |
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 91.0 | nM | 7.04 | Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 6... | 22386979 |
| Prostaglandin E2 receptor EP3 subtype | Ki | = | 570.0 | nM | 6.24 | Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 6... | 22386979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP3 subtype | 1 |
| 22386979 | 10.1016/j.bmc.2012.02.018 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine