Compound Detail
CHEMBL163221
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL163221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMSOUKCHGOOFAL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
567.1
MW (Da)
4.54
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL3917 | IC50 | 10.0 | 8.05 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 0.1 | nM | 10.0 | In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine... | 7861417 |
| Thyroid hormone receptor beta | IC50 | = | 800.0 | nM | 6.1 | In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothy... | 7861417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861417 | 10.1021/jm00004a015 | Thyroid hormone receptor beta | 2 |
Data from ChEMBL 36 via Core Engine