Compound Detail
CHEMBL4759495
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Basic Information
| ChEMBL ID | CHEMBL4759495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAVZGJSCNDJOBN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.2
MW (Da)
1.85
ALogP
8
HBA
4
HBD
163.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.63 | 6.63 | 235.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.08 | 5.49 | 830.0 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 5.36 | 5.36 | 4339.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 235.0 | nM | 6.63 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 830.0 | nM | 6.08 | Agonist activity at recombinant hexa-His-tagged THRbeta LBD (148 to 410 residues... | 32768645 |
| Thyroid hormone receptor alpha | EC50 | = | 4339.0 | nM | 5.36 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 12600.0 | nM | 4.9 | 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 |
Data from ChEMBL 36 via Core Engine