Compound Detail
CHEMBL401785
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
Basic Information
| ChEMBL ID | CHEMBL401785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKCDXDVHQVWUKA-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1207383 |
| Active Moiety | CHEMBL1207383 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.79
QED
0
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 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 7.9 | 7.9 | 12.6 | 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 | = | 12.59 | nM | 7.9 | 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