Compound Detail
CHEMBL192346
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Basic Information
| ChEMBL ID | CHEMBL192346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXHBNMDFFFIDJQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.0
MW (Da)
3.24
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 4.5 | 4.495 | 32000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 32000.0 | nM | 4.5 | Inhibitory activity against human Thyroid hormone receptor beta | 15857115 |
| Thyroid hormone receptor beta | IC50 | = | 32359.37 | nM | 4.49 | Inhibition of human thyroid hormone receptor beta 1 | 17524652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857115 | 10.1021/jm050004k | Thyroid hormone receptor alpha | 2 |
| 15857115 | 10.1021/jm050004k | Thyroid hormone receptor beta | 2 |
| 17524652 | 10.1016/j.bmc.2007.05.016 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine