Compound Detail
CHEMBL2381494
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Basic Information
| ChEMBL ID | CHEMBL2381494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYZREUQEERXAAC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
3.86
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | IC50 | 6.27 | 5.45 | 537.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | IC50 | = | 537.03 | nM | 6.27 | Vasorelaxant activity in Wistar rat endothelium-denuded aortic rings assessed as... | 23662847 |
| Aorta | IC50 | = | 23442.29 | nM | 4.63 | Vasorelaxant activity in Wistar rat endothelium-denuded aortic rings assessed as... | 23662847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23662847 | 10.1021/jm400435a | Aorta | 4 |
Data from ChEMBL 36 via Core Engine