Compound Detail
CHEMBL457529
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Basic Information
| ChEMBL ID | CHEMBL457529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHIDWXMLJGPDMM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.44
ALogP
4
HBA
3
HBD
96.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | Ki | 7.59 | 7.59 | 25.4 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | Ki | 6.74 | 6.74 | 183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | Ki | = | 25.4 | nM | 7.59 | Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TR... | 18975928 |
| Thyroid hormone receptor alpha | Ki | = | 183.0 | nM | 6.74 | Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombina... | 18975928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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