Compound Detail
CHEMBL334826
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Basic Information
| ChEMBL ID | CHEMBL334826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNLPIIUKXYDGCM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.9
MW (Da)
2.90
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-TC6 CHEMBL614357 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-TC6 | IC50 | = | 240.0 | nM | 6.62 | Ability to inhibit the release of insulin from the mouse beta-TC6 cell line | 12213059 |
| Rattus norvegicus | EC50 | = | 8000.0 | nM | 5.1 | Ability to relax phenylephrine-contracted rat aorta rings | 12213059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213059 | 10.1021/jm0208121 | Beta-TC6 | 2 |
| 12213059 | 10.1021/jm0208121 | Unchecked | 1 |
| 12213059 | 10.1021/jm0208121 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine