Compound Detail
CHEMBL56801
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Basic Information
| ChEMBL ID | CHEMBL56801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYHBCLAFOBTOAT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.36
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | Ki | = | 2.0 | nM | 8.7 | Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor | 12565933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1635056 | 10.1021/jm00092a004 | Eimeria tenella | 1 |
| 8411009 | 10.1021/jm00072a012 | Gallus gallus | 1 |
| 12565933 | 10.1016/s0960-894x(02)00947-2 | Thyroid hormone receptor beta | 1 |
| 2061927 | 10.1021/jm00110a023 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine