Compound Detail
CHEMBL5286305
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Basic Information
| ChEMBL ID | CHEMBL5286305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZZXZRNBHDAZPF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
428.2
MW (Da)
3.06
ALogP
7
HBA
2
HBD
116.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5986.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 4861.76 | nM | Mus musculus |
| T1/2 | 5.87 | hr | Mus musculus |
| Tmax | 0.42 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 30.0 | nM | 7.52 | Agonist activity at human THRbeta transfected in Huh7 cells co-transfected with ... | 36799411 |
| Thyroid hormone receptor alpha | EC50 | = | 50.0 | nM | 7.3 | Agonist activity at human THRalpha transfected in Huh7 cells co-transfected with... | 36799411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36799411 | 10.1021/acs.jmedchem.2c01669 | ADMET | 4 |
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Thyroid hormone receptor alpha | 1 |
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Thyroid hormone receptor beta | 1 |
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine