Compound Detail
CHEMBL403330
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Basic Information
| ChEMBL ID | CHEMBL403330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNAWMOKRPGMELU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1207404 |
| Active Moiety | CHEMBL1207404 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
4.26
ALogP
3
HBA
1
HBD
59.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.5
Ki 1 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 9.5 | 9.5 | 0.3 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 0.3162 | nM | 9.5 | Antagonist activity at EP1 receptor by FLIPR assay | 18262416 |
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 3.162 | nM | 8.5 | Displacement of [3H]PGE2 from EP1 receptor | 18262416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18262416 | 10.1016/j.bmcl.2008.01.071 | Prostaglandin E2 receptor EP1 subtype | 2 |
Data from ChEMBL 36 via Core Engine