Compound Detail
CHEMBL41314
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Basic Information
| ChEMBL ID | CHEMBL41314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNNRJYLAQGIPJH-OAHLLOKOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
567.2
MW (Da)
4.47
ALogP
4
HBA
3
HBD
92.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 9.96 | 9.96 | 0.1 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 9.85 | 9.85 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 0.11 | nM | 9.96 | Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone r... | 12699376 |
| Thyroid hormone receptor beta | IC50 | = | 0.1096 | nM | 9.96 | Inhibition of thyroid hormone receptor beta | 17467994 |
| Thyroid hormone receptor alpha | IC50 | = | 0.14 | nM | 9.85 | Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone r... | 12699376 |
| Thyroid hormone receptor alpha | IC50 | = | 0.1413 | nM | 9.85 | Inhibition of thyroid hormone receptor alpha | 17467994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 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