Compound Detail
CHEMBL46882
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Basic Information
| ChEMBL ID | CHEMBL46882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOJMJBUYXYEPFX-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.95
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.72
Ki 2 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL3917 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | Ki | 9.33 | 9.33 | 0.5 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | Ki | 9.29 | 9.29 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 0.19 | nM | 9.72 | In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine... | 7861417 |
| Unchecked | IC50 | = | 0.19 | nM | 9.72 | Inhibition of [125I]L-T3 binding to rat hepatic 3,5,3''-triiodo-L-thyronine rece... | 10937719 |
| Thyroid hormone receptor beta | Ki | = | 0.47 | nM | 9.33 | Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TR... | 18975928 |
| Thyroid hormone receptor alpha | Ki | = | 0.51 | nM | 9.29 | Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombina... | 18975928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861417 | 10.1021/jm00004a015 | Rattus norvegicus | 5 |
| 7861417 | 10.1021/jm00004a015 | Thyroid hormone receptor beta | 2 |
| 10937719 | 10.1016/s0960-894x(00)00309-7 | Unchecked | 1 |
| 18975928 | 10.1021/jm800824d | Thyroid hormone receptor alpha | 1 |
| 18975928 | 10.1021/jm800824d | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine