Compound Detail
CHEMBL5171818
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Basic Information
| ChEMBL ID | CHEMBL5171818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRRGUPOHOWABRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
2.61
ALogP
6
HBA
3
HBD
112.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.94 | 6.94 | 115.2 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 6.52 | 6.52 | 302.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 115.2 | nM | 6.94 | Agonist activity at human TR beta LBD (202 to 461 residues) expressed in Escheri... | 35507418 |
| Thyroid hormone receptor alpha | EC50 | = | 302.5 | nM | 6.52 | Agonist activity at wild type human TR alpha LBD expressed in Escherichia coli B... | 35507418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Thyroid hormone receptor beta | 2 |
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Thyroid hormone receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine