Compound Detail
CHEMBL4753226
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Basic Information
| ChEMBL ID | CHEMBL4753226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAZBBFKYRRLRQS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.2
MW (Da)
1.90
ALogP
9
HBA
3
HBD
152.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.12 | 6.12 | 762.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.62 | 5.06 | 2400.0 | 2 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 5.58 | 5.58 | 2601.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 762.0 | nM | 6.12 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 2400.0 | nM | 5.62 | Agonist activity at recombinant hexa-His-tagged THRbeta LBD (148 to 410 residues... | 32768645 |
| Thyroid hormone receptor alpha | EC50 | = | 2601.0 | nM | 5.58 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 31300.0 | nM | 4.5 | 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