Compound Detail
CHEMBL480313
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Basic Information
| ChEMBL ID | CHEMBL480313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNUFSZUGHNUFJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
4.83
ALogP
6
HBA
3
HBD
95.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.5 | 6.5 | 317.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 5.98 | 5.98 | 1056.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 317.0 | nM | 6.5 | Agonist activity at human thyroid hormone receptor beta expressed in CV1 cells b... | 18585912 |
| Thyroid hormone receptor alpha | EC50 | = | 1056.0 | nM | 5.98 | Agonist activity at human thyroid hormone receptor alpha expressed in CV1 cells ... | 18585912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18585912 | 10.1016/j.bmcl.2008.06.038 | Thyroid hormone receptor alpha | 4 |
| 18585912 | 10.1016/j.bmcl.2008.06.038 | Thyroid hormone receptor beta | 4 |
| 18585912 | 10.1016/j.bmcl.2008.06.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine