Compound Detail
CHEMBL442486
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Basic Information
| ChEMBL ID | CHEMBL442486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVOJSHPYPHEQGY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
0.79
ALogP
7
HBA
0
HBD
90.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.28 | 6.87 | 52.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 52.0 | nM | 7.28 | Relaxation of endothelium denucleated strips of rat aorta precontracted with nor... | 9046336 |
| Rattus norvegicus | EC50 | = | 350.0 | nM | 6.46 | Relaxation of endothelium denucleated strips of rat aorta precontracted with nor... | 9046336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046336 | 10.1021/jm960379t | Rattus norvegicus | 2 |
| 9046336 | 10.1021/jm960379t | Molecular identity unknown | 2 |
Data from ChEMBL 36 via Core Engine