Compound Detail
CHEMBL298121
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Basic Information
| ChEMBL ID | CHEMBL298121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHSOUXHNVPSUBZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
299.2
MW (Da)
4.02
ALogP
2
HBA
2
HBD
60.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
| Beta-TC6 CHEMBL614357 | IC50 | 5.64 | 4.975 | 2300.0 | 2 |
| Beta-TC3 CHEMBL614063 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 300.0 | nM | 6.52 | Relaxation of phenylephrine precontracted rat isolated aorta rings. | 15163199 |
| Rattus norvegicus | IC50 | = | 300.0 | nM | 6.52 | In vitro ability to relax phenylephrine contracted rat aorta rings | 11425552 |
| Beta-TC6 | IC50 | = | 2300.0 | nM | 5.64 | In vitro inhibition of insulin release from murine beta-TC6 cells | 11425552 |
| Beta-TC3 | IC50 | = | 24000.0 | nM | 4.62 | Ability to repolarize beta-TC3 cell membrane potential | 15163199 |
| Beta-TC6 | IC50 | = | 48500.0 | nM | 4.31 | 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 |
| 11425552 | 10.1016/s0960-894x(01)00297-9 | Beta-TC6 | 2 |
| 15163199 | 10.1021/jm031018y | Rattus norvegicus | 1 |
| 15163199 | 10.1021/jm031018y | Beta-TC3 | 1 |
| 11425552 | 10.1016/s0960-894x(01)00297-9 | Rattus norvegicus | 1 |
| 11425552 | 10.1016/s0960-894x(01)00297-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine