Compound Detail
CHEMBL3261333
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Basic Information
| ChEMBL ID | CHEMBL3261333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFIWDBBXUIEFQL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
449.2
MW (Da)
2.11
ALogP
9
HBA
1
HBD
135.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 40.0 | nM | 7.4 | Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed ... | 24712661 |
| Thyroid hormone receptor alpha | EC50 | = | 330.0 | nM | 6.48 | Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed... | 24712661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24712661 | 10.1021/jm4019299 | Thyroid hormone receptor beta | 2 |
| 24712661 | 10.1021/jm4019299 | Thyroid hormone receptor alpha | 2 |
| 24712661 | 10.1021/jm4019299 | Plasma | 1 |
| 24712661 | 10.1021/jm4019299 | Unchecked | 1 |
| 24712661 | 10.1021/jm4019299 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine