Compound Detail
CHEMBL160703
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Basic Information
| ChEMBL ID | CHEMBL160703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBJNWOVHBXFYFH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
604.2
MW (Da)
5.68
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor alpha | IC50 | = | 1400.0 | nM | 5.85 | Concentration required to inhibit 50% of binding of [125I]-T3 to human Thyroid h... | 11806713 |
| Thyroid hormone receptor beta | IC50 | = | 4000.0 | nM | 5.4 | Concentration required to inhibit 50% of binding of [125I]T3 to human Thyroid ho... | 11806713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806713 | 10.1021/jm001126+ | CHO-K1 | 4 |
| 11806713 | 10.1021/jm001126+ | Thyroid hormone receptor alpha | 1 |
| 11806713 | 10.1021/jm001126+ | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine