Compound Detail
CHEMBL1957433
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)Cc1cccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1
Basic Information
| ChEMBL ID | CHEMBL1957433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWSCJMNTBCHLKW-ORMBLBCUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
3.66
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype CHEMBL2489 | Ki | 7.28 | 7.28 | 53.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL2181 | Ki | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP4 subtype | Ki | = | 53.0 | nM | 7.28 | Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 6... | 22386979 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 5100.0 | nM | 5.29 | Displacement of [3H]-PGE2 from mouse EP1 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