Compound Detail
CHEMBL4745568
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Basic Information
| ChEMBL ID | CHEMBL4745568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVSXVZNNBYVZNF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.2
MW (Da)
2.92
ALogP
7
HBA
3
HBD
143.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.27 | 7.165 | 53.6 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.4 | 5.715 | 400.0 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 5.88 | 5.835 | 1323.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 53.6 | nM | 7.27 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Thyroid hormone receptor beta | EC50 | = | 87.3 | nM | 7.06 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 400.0 | nM | 6.4 | Agonist activity at recombinant hexa-His-tagged THRbeta LBD (148 to 410 residues... | 32768645 |
| Thyroid hormone receptor alpha | EC50 | = | 1323.0 | nM | 5.88 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Thyroid hormone receptor alpha | EC50 | = | 1632.0 | nM | 5.79 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 9300.0 | nM | 5.03 | Agonist activity at recombinant hexa-His-tagged THRalpha LBD (202 to 461 residue... | 32768645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32768645 | 10.1016/j.bmcl.2020.127465 | Unchecked | 3 |
| 32768645 | 10.1016/j.bmcl.2020.127465 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine