Compound Detail
CHEMBL5209093
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Basic Information
| ChEMBL ID | CHEMBL5209093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOOCHEISIIMJAU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.2
MW (Da)
3.31
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.47
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 8.47 | 8.47 | 3.4 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 7.83 | 7.83 | 14.7 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.24 | 7.24 | 57.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 3.4 | nM | 8.47 | Agonist activity at human TR beta LBD (202 to 461 residues) expressed in Escheri... | 35507418 |
| Thyroid hormone receptor alpha | EC50 | = | 14.7 | nM | 7.83 | Agonist activity at wild type human TR alpha LBD expressed in Escherichia coli B... | 35507418 |
| Egl nine homolog 1 | IC50 | = | 57.8 | nM | 7.24 | Inhibition of PHD2 (unknown origin) incubated for 15 mins by competitive fluores... | 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 |
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine