Compound Detail
CHEMBL5284946
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Basic Information
| ChEMBL ID | CHEMBL5284946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SELFLFUUYHNTHO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.77
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.47 | 5.8925 | 338.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 338.84 | nM | 6.47 | Vasorelaxant activity in U46619-induced contraction in rat endothelium-denuded m... | 37149230 |
| Rattus norvegicus | EC50 | = | 1900.0 | nM | 5.72 | Vasorelaxant activity in U46619-induced preconstricted rat endothelium-intact ma... | 37149230 |
| Rattus norvegicus | EC50 | = | 2041.74 | nM | 5.69 | Vasorelaxant activity in U46619-induced preconstricted rat endothelium-intact ma... | 37149230 |
| Rattus norvegicus | EC50 | = | 2041.74 | nM | 5.69 | Vasorelaxant activity in U46619-induced contraction rat endothelium-intact main ... | 37149230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37149230 | 10.1016/j.bmcl.2023.129311 | Rattus norvegicus | 9 |
| 37149230 | 10.1016/j.bmcl.2023.129311 | BV-2 | 2 |
| 37149230 | 10.1016/j.bmcl.2023.129311 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine