Compound Detail
CHEMBL203828
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Basic Information
| ChEMBL ID | CHEMBL203828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOWQUCJYYNNJGX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
470.2
MW (Da)
5.63
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.39
IC50 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 8.39 | 8.39 | 4.1 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 8.37 | 8.37 | 4.3 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor alpha | EC50 | = | 4.1 | nM | 8.39 | Efficacy against TRAF-alpha-1 reporter cells | 16338239 |
| Thyroid hormone receptor beta | EC50 | = | 4.3 | nM | 8.37 | Efficacy against TRAF-beta-1 reporter cells | 16338239 |
| Thyroid hormone receptor beta | IC50 | = | 8.5 | nM | 8.07 | Inhibition of human TR-beta-1 by radioligand binding assay | 16338239 |
| Thyroid hormone receptor alpha | IC50 | = | 38.0 | nM | 7.42 | Inhibition of human TR-alpha-1 by radioligand binding assay | 16338239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16338239 | 10.1016/j.bmcl.2005.11.077 | Thyroid hormone receptor alpha | 3 |
| 16338239 | 10.1016/j.bmcl.2005.11.077 | Thyroid hormone receptor beta | 3 |
| 16338239 | 10.1016/j.bmcl.2005.11.077 | Thyroid hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine