Compound Detail
CHEMBL264152
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Basic Information
| ChEMBL ID | CHEMBL264152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOFMSGBJMJLFHW-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.1
MW (Da)
3.45
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.57
Kd 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 7.57 | 7.205 | 27.0 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | Kd | 7.38 | 7.38 | 42.0 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | Kd | 7.28 | 7.28 | 53.0 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.75 | 6.075 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor alpha | EC50 | = | 27.0 | nM | 7.57 | Effect on human TRalpha transactivation activity in HeLa cells by luciferase rep... | 17988877 |
| Thyroid hormone receptor alpha | Kd | = | 42.0 | nM | 7.38 | Displacement of [125I]T3 from human TRalpha receptor | 17988877 |
| Thyroid hormone receptor beta | Kd | = | 53.0 | nM | 7.28 | Displacement of [125I]T3 from human TRbeta receptor | 17988877 |
| Thyroid hormone receptor alpha | EC50 | = | 146.0 | nM | 6.84 | Effect on human TRalpha transactivation activity in U2OS cells by luciferase rep... | 17988877 |
| Thyroid hormone receptor beta | EC50 | = | 180.0 | nM | 6.75 | Effect on human TRbeta transactivation activity in HeLa cells by luciferase repo... | 17988877 |
| Thyroid hormone receptor beta | EC50 | = | 4000.0 | nM | 5.4 | Effect on human TRbeta transactivation activity in U2OS cells by luciferase repo... | 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