Compound Detail
CHEMBL383992
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Basic Information
| ChEMBL ID | CHEMBL383992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSCJXNXUTREXCL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.3
MW (Da)
4.19
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-TC3 CHEMBL614063 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
| Beta-TC6 CHEMBL614357 | EC50 | 4.87 | 4.87 | 13360.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.86 | 4.86 | 13900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-TC3 | EC50 | = | 160.0 | nM | 6.8 | Repolarization of beta-TC3 cells | 16821773 |
| Beta-TC6 | EC50 | = | 13360.0 | nM | 4.87 | Inhibition of glucose-stimulated insulin release in betaTC6 cells | 16821773 |
| Rattus norvegicus | EC50 | = | 13900.0 | nM | 4.86 | Relaxation of precontracted Wistar rat aorta rings | 16821773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821773 | 10.1021/jm060042j | Beta-TC6 | 2 |
| 16821773 | 10.1021/jm060042j | Rattus norvegicus | 1 |
| 16821773 | 10.1021/jm060042j | Beta-TC3 | 1 |
Data from ChEMBL 36 via Core Engine