Compound Detail
CHEMBL387454
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 | CHEMBL387454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZZPOOOJDRHMCD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.2
MW (Da)
5.04
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 7.75 | 7.75 | 17.8 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 6.89 | 6.89 | 128.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 17.78 | nM | 7.75 | Displacement of [3H]PGE2 from EP1 receptor expressed in CHO-K1 cells | 16843659 |
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 128.82 | nM | 6.89 | Antagonist activity at EP1 receptor expressed in CHO-K1 cells assessed as inhibi... | 16843659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16843659 | 10.1016/j.bmcl.2006.06.086 | Prostaglandin E2 receptor EP1 subtype | 2 |
Data from ChEMBL 36 via Core Engine