Compound Detail
CHEMBL203777
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 | CHEMBL203777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWMUQGROYMTIHF-UHFFFAOYSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
380.2
MW (Da)
5.79
ALogP
3
HBA
3
HBD
82.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.22
EC50 2 meas. best 8.33
Ki 1 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 10.22 | 10.22 | 0.1 | 2 |
| Thyroid hormone receptor beta CHEMBL1947 | Ki | 10.22 | 10.22 | 0.1 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 8.85 | 8.85 | 1.4 | 2 |
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 8.33 | 8.33 | 4.7 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 0.06 | nM | 10.22 | Inhibition of human TR-beta-1 by radioligand binding assay | 16338239 |
| Thyroid hormone receptor beta | IC50 | = | 0.06026 | nM | 10.22 | Inhibition of thyroid hormone receptor beta | 17467994 |
| Thyroid hormone receptor beta | Ki | = | 0.06 | nM | 10.22 | Binding affinity to TRbeta1 | 22512468 |
| Thyroid hormone receptor alpha | IC50 | = | 1.4 | nM | 8.85 | Inhibition of human TR-alpha-1 by radioligand binding assay | 16338239 |
| Thyroid hormone receptor alpha | IC50 | = | 1.413 | nM | 8.85 | Inhibition of thyroid hormone receptor alpha | 17467994 |
| Thyroid hormone receptor beta | EC50 | = | 4.7 | nM | 8.33 | Efficacy against TRAF-beta-1 reporter cells | 16338239 |
| Thyroid hormone receptor alpha | EC50 | = | 10.0 | nM | 8.0 | Efficacy against TRAF-alpha-1 reporter cells | 16338239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16338239 | 10.1016/j.bmcl.2005.11.077 | Thyroid hormone receptor alpha | 3 |
| 16338239 | 10.1016/j.bmcl.2005.11.077 | Thyroid hormone receptor beta | 3 |
| 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 |
| 22512468 | 10.1021/jm2004706 | Unchecked | 1 |
| 22512468 | 10.1021/jm2004706 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine