Compound Detail
CHEMBL289343
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Basic Information
| ChEMBL ID | CHEMBL289343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGODJDXDANWOEP-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
458.1
MW (Da)
5.85
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 10.6 | 10.6 | 0.0 | 3 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 10.0 | 10.0 | 0.1 | 2 |
| Thyroid hormone receptor beta CHEMBL3917 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 0.025 | nM | 10.6 | Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone r... | 12699376 |
| Thyroid hormone receptor beta | IC50 | = | 0.02512 | nM | 10.6 | Inhibition of human thyroid hormone receptor beta 1 | 17524652 |
| Thyroid hormone receptor beta | IC50 | = | 0.02512 | nM | 10.6 | Inhibition of thyroid hormone receptor beta | 17467994 |
| Thyroid hormone receptor alpha | IC50 | = | 0.1 | nM | 10.0 | Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone r... | 12699376 |
| Thyroid hormone receptor alpha | IC50 | = | 0.1 | nM | 10.0 | Inhibition of thyroid hormone receptor alpha | 17467994 |
| Thyroid hormone receptor beta | IC50 | = | 0.11 | nM | 9.96 | Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine rec... | 7861417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861417 | 10.1021/jm00004a015 | Thyroid hormone receptor beta | 2 |
| 12699376 | 10.1021/jm021080f | Thyroid hormone receptor alpha | 1 |
| 12699376 | 10.1021/jm021080f | Thyroid hormone receptor beta | 1 |
| 12699376 | 10.1021/jm021080f | Thyroid hormone receptor | 1 |
| 17524652 | 10.1016/j.bmc.2007.05.016 | Thyroid hormone receptor beta | 1 |
| 17467994 | 10.1016/j.bmc.2007.04.015 | Thyroid hormone receptor alpha | 1 |
| 17467994 | 10.1016/j.bmc.2007.04.015 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine