Compound Detail
CHEMBL4743629
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Basic Information
| ChEMBL ID | CHEMBL4743629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKZQKRHFNDZRHB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.2
MW (Da)
3.28
ALogP
7
HBA
3
HBD
125.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.5 | 7.315 | 31.5 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 6.99 | 6.66 | 102.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.16 | 5.955 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 31.5 | nM | 7.5 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Thyroid hormone receptor beta | EC50 | = | 74.2 | nM | 7.13 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Thyroid hormone receptor alpha | EC50 | = | 102.0 | nM | 6.99 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Thyroid hormone receptor alpha | EC50 | = | 469.0 | nM | 6.33 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 700.0 | nM | 6.16 | Agonist activity at recombinant hexa-His-tagged THRbeta LBD (148 to 410 residues... | 32768645 |
| Unchecked | EC50 | = | 1800.0 | nM | 5.75 | 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