Compound Detail
CHEMBL203555
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Basic Information
| ChEMBL ID | CHEMBL203555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFHPGLKTTMRBBJ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
5.17
ALogP
4
HBA
2
HBD
79.7
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.82
EC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.31 | 7.31 | 49.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 7.08 | 7.08 | 83.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 6.7 | 6.7 | 199.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human TR-beta-1 by radioligand binding assay | 16338239 |
| Thyroid hormone receptor beta | IC50 | = | 15.14 | nM | 7.82 | Inhibition of thyroid hormone receptor beta | 17467994 |
| Thyroid hormone receptor beta | EC50 | = | 49.0 | nM | 7.31 | Efficacy against TRAF-beta-1 reporter cells | 16338239 |
| Thyroid hormone receptor alpha | EC50 | = | 83.0 | nM | 7.08 | Efficacy against TRAF-alpha-1 reporter cells | 16338239 |
| Thyroid hormone receptor alpha | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human TR-alpha-1 by radioligand binding assay | 16338239 |
| Thyroid hormone receptor alpha | IC50 | = | 199.53 | nM | 6.7 | 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 | 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 |
Data from ChEMBL 36 via Core Engine