Compound Detail
CHEMBL407175
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Basic Information
| ChEMBL ID | CHEMBL407175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKRBCHJTGABSNC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1207453 |
| Active Moiety | CHEMBL1207453 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.8
MW (Da)
5.11
ALogP
3
HBA
1
HBD
59.7
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | Ki | = | 1.995 | nM | 8.7 | Antagonist activity at EP1 receptor by FLIPR assay | 18262416 |
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 10.0 | nM | 8.0 | 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 |
| 18262416 | 10.1016/j.bmcl.2008.01.071 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine