Compound Detail
CHEMBL202521
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Basic Information
| ChEMBL ID | CHEMBL202521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYWKEVDSAGWUQZ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
447.1
MW (Da)
5.52
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 6.85 | 6.85 | 140.0 | 3 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 5.48 | 5.48 | 3300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 140.0 | nM | 6.85 | Binding affinity to human thyroid hormone receptor beta 1 | 16303304 |
| Thyroid hormone receptor beta | IC50 | = | 141.25 | nM | 6.85 | Inhibition of human thyroid hormone receptor beta 1 | 17524652 |
| Thyroid hormone receptor beta | IC50 | = | 141.25 | nM | 6.85 | Inhibition of thyroid hormone receptor beta | 17467994 |
| Thyroid hormone receptor alpha | IC50 | = | 3300.0 | nM | 5.48 | Binding affinity to human thyroid hormone receptor alpha 1 | 16303304 |
| Thyroid hormone receptor alpha | IC50 | = | 3311.31 | nM | 5.48 | Inhibition of thyroid hormone receptor alpha | 17467994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16303304 | 10.1016/j.bmcl.2005.11.002 | Thyroid hormone receptor alpha | 1 |
| 16303304 | 10.1016/j.bmcl.2005.11.002 | Thyroid hormone receptor beta | 1 |
| 16303304 | 10.1016/j.bmcl.2005.11.002 | Thyroid hormone receptor | 1 |
| 17524652 | 10.1016/j.bmc.2007.05.016 | Thyroid hormone receptor beta | 1 |
| 17467994 | 10.1016/j.bmc.2007.04.015 | Thyroid hormone receptor alpha | 1 |
| 17467994 | 10.1016/j.bmc.2007.04.015 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine