Compound Detail
CHEMBL5284849
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Basic Information
| ChEMBL ID | CHEMBL5284849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVJFOIOENWBYDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.3
MW (Da)
3.61
ALogP
7
HBA
2
HBD
114.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 6.09 | 6.09 | 810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human THRbeta transfected in Huh7 cells co-transfected with ... | 36799411 |
| Thyroid hormone receptor alpha | EC50 | = | 810.0 | nM | 6.09 | Agonist activity at human THRalpha transfected in Huh7 cells co-transfected with... | 36799411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Thyroid hormone receptor alpha | 1 |
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Thyroid hormone receptor beta | 1 |
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine