Compound Detail
CHEMBL381937
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Basic Information
| ChEMBL ID | CHEMBL381937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXHYBOCRTUHWOD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
475.2
MW (Da)
6.16
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 8.37 | 8.37 | 4.3 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 4.3 | nM | 8.37 | Binding affinity to human thyroid hormone receptor beta 1 | 16303304 |
| Thyroid hormone receptor beta | IC50 | = | 4.266 | nM | 8.37 | Inhibition of human thyroid hormone receptor beta 1 | 17524652 |
| Thyroid hormone receptor alpha | IC50 | = | 240.0 | nM | 6.62 | Binding affinity to human thyroid hormone receptor alpha 1 | 16303304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16303304 | 10.1016/j.bmcl.2005.11.002 | Thyroid hormone receptor alpha | 1 |
| 16303304 | 10.1016/j.bmcl.2005.11.002 | Thyroid hormone receptor beta | 1 |
| 16303304 | 10.1016/j.bmcl.2005.11.002 | Thyroid hormone receptor | 1 |
| 17524652 | 10.1016/j.bmc.2007.05.016 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine