Compound Detail
CHEMBL110551
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Basic Information
| ChEMBL ID | CHEMBL110551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYSKTLLXZVCHLP-NSHDSACASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
4.59
ALogP
2
HBA
2
HBD
60.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-TC3 CHEMBL614063 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Beta-TC6 CHEMBL614357 | IC50 | 4.4 | 4.4 | 39800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-TC3 | IC50 | = | 25000.0 | nM | 4.6 | Ability to repolarize beta-TC3 cell membrane potential | 15163199 |
| Rattus norvegicus | IC50 | = | 30000.0 | nM | 4.52 | Relaxation of phenylephrine precontracted rat isolated aorta rings. | 15163199 |
| Beta-TC6 | IC50 | = | 39800.0 | nM | 4.4 | In vitro ability to inhibit glucose stimulated insulin release in beta-TC6 cells... | 15163199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163199 | 10.1021/jm031018y | Beta-TC6 | 2 |
| 15163199 | 10.1021/jm031018y | Rattus norvegicus | 1 |
| 15163199 | 10.1021/jm031018y | Beta-TC3 | 1 |
Data from ChEMBL 36 via Core Engine