Compound Detail
CHEMBL436656
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Basic Information
| ChEMBL ID | CHEMBL436656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFPSWSPZEMGBOD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1207751 |
| Active Moiety | CHEMBL1207751 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
5.03
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 63.1 | nM | 7.2 | Antagonist activity against human EP1 receptor expressed in CHOK1 cells assessed... | 18378447 |
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 158.49 | nM | 6.8 | Displacement of [3H]PGE2 from human EP1 receptor expressed in CHOK1 cells | 18378447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18378447 | 10.1016/j.bmcl.2008.03.018 | Prostaglandin E2 receptor EP1 subtype | 2 |
Data from ChEMBL 36 via Core Engine