Compound Detail
CHEMBL3586317
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Basic Information
| ChEMBL ID | CHEMBL3586317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBXMQRKSHFFVLO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.0
MW (Da)
6.62
ALogP
4
HBA
0
HBD
21.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 30000.0 | nM | 4.52 | Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 ... | 26061158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Prostaglandin E2 receptor EP2 subtype | 2 |
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Cytochrome P450 2D6 | 1 |
| 26061158 | 10.1021/acs.jmedchem.5b00567 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine