Compound Detail
CHEMBL251439
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 | CHEMBL251439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCPFGULZSPSFGH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.46
ALogP
4
HBA
3
HBD
99.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 6.62 | 6.62 | 239.9 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 6.21 | 6.21 | 616.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human TR-beta-1 by radioligand binding assay | 16338239 |
| Thyroid hormone receptor beta | IC50 | = | 239.88 | nM | 6.62 | Inhibition of thyroid hormone receptor beta | 17467994 |
| Thyroid hormone receptor alpha | IC50 | = | 620.0 | nM | 6.21 | Inhibition of human TR-alpha-1 by radioligand binding assay | 16338239 |
| Thyroid hormone receptor alpha | IC50 | = | 616.6 | nM | 6.21 | Inhibition of thyroid hormone receptor alpha | 17467994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16338239 | 10.1016/j.bmcl.2005.11.077 | Thyroid hormone receptor alpha | 2 |
| 16338239 | 10.1016/j.bmcl.2005.11.077 | Thyroid hormone receptor beta | 2 |
| 16338239 | 10.1016/j.bmcl.2005.11.077 | 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