Compound Detail
CHEMBL196613
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Basic Information
| ChEMBL ID | CHEMBL196613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTJRUGBPZHFBMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.3
MW (Da)
7.28
ALogP
2
HBA
3
HBD
69.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 29.0 | nM | 7.54 | Inhibitory concentration against cloned human thyroid hormone receptor beta 1 | 16099653 |
| Thyroid hormone receptor alpha | IC50 | = | 125.0 | nM | 6.9 | Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 | 16099653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16099653 | 10.1016/j.bmcl.2005.06.093 | Thyroid hormone receptor alpha | 1 |
| 16099653 | 10.1016/j.bmcl.2005.06.093 | Thyroid hormone receptor beta | 1 |
| 16099653 | 10.1016/j.bmcl.2005.06.093 | Thyroid hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine