Compound Detail
CHEMBL3397343
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Basic Information
| ChEMBL ID | CHEMBL3397343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPWASSPFVOQUGD-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.76
ALogP
4
HBA
2
HBD
71.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.39
Ki 2 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | Ki | 9.27 | 9.27 | 0.5 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | Ki | 7.44 | 7.44 | 36.5 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.39 | 6.39 | 406.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 5.61 | 5.61 | 2466.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | Ki | = | 0.54 | nM | 9.27 | Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in ... | 25752984 |
| Thyroid hormone receptor alpha | Ki | = | 36.53 | nM | 7.44 | Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in... | 25752984 |
| Thyroid hormone receptor beta | EC50 | = | 406.0 | nM | 6.39 | Agonist activity at TRbeta (unknown origin) expressed in human HuH7 cells after ... | 25752984 |
| Thyroid hormone receptor alpha | EC50 | = | 2466.0 | nM | 5.61 | Agonist activity at TRalpha (unknown origin) expressed in human HuH7 cells after... | 25752984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25752984 | 10.1016/j.bmcl.2015.02.062 | Thyroid hormone receptor beta | 2 |
| 25752984 | 10.1016/j.bmcl.2015.02.062 | Thyroid hormone receptor alpha | 2 |
| 25752984 | 10.1016/j.bmcl.2015.02.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine