Compound Detail
CHEMBL442023
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Basic Information
| ChEMBL ID | CHEMBL442023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUZDFFOOENMQEU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.9
MW (Da)
3.04
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.82
IC50 1 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.82 | 6.82 | 150.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Beta-TC6 CHEMBL614357 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 150.0 | nM | 6.82 | Ability to relax phenylephrine-contracted rat aorta rings | 12213059 |
| Rattus norvegicus | EC50 | = | 150.0 | nM | 6.82 | Effective concentration required for relaxation of rat aorta rings | 12213059 |
| Unchecked | EC50 | = | 200.0 | nM | 6.7 | Changes in potassium fluxes assessed in the glucose responsive insulin-producing... | 12213059 |
| Beta-TC6 | IC50 | = | 7100.0 | nM | 5.15 | Ability to inhibit the release of insulin from the mouse beta-TC6 cell line | 12213059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213059 | 10.1021/jm0208121 | Beta-TC6 | 2 |
| 12213059 | 10.1021/jm0208121 | Rattus norvegicus | 2 |
| 12213059 | 10.1021/jm0208121 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine