Compound Detail
CHEMBL356730
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Basic Information
| ChEMBL ID | CHEMBL356730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REIQEGLUEKMRRM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.03
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 4.82 | 4.465 | 15200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 15200.0 | nM | 4.82 | Relaxation of endothelium denucleated strips of rat aorta precontracted with nor... | 9046336 |
| Rattus norvegicus | EC50 | = | 78000.0 | nM | 4.11 | 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