Compound Detail
CHEMBL407819
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Basic Information
| ChEMBL ID | CHEMBL407819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRXNUIDRDQCOBI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.1
MW (Da)
3.14
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor alpha CHEMBL1860 | Kd | 5.77 | 5.77 | 1700.0 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor alpha | Kd | = | 1700.0 | nM | 5.77 | Displacement of [125I]T3 from human TRalpha receptor | 17988877 |
| Thyroid hormone receptor beta | Kd | = | 2000.0 | nM | 5.7 | Displacement of [125I]T3 from human TRbeta receptor | 17988877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17988877 | 10.1016/j.bmc.2007.10.040 | Thyroid hormone receptor alpha | 3 |
| 17988877 | 10.1016/j.bmc.2007.10.040 | Thyroid hormone receptor beta | 3 |
Data from ChEMBL 36 via Core Engine