Compound Detail
CHEMBL125381
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Basic Information
| ChEMBL ID | CHEMBL125381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXQAVKWRCZYGMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.16
ALogP
6
HBA
2
HBD
97.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | Ki | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | Ki | = | 0.03 | nM | 10.52 | Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor | 12565933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565933 | 10.1016/s0960-894x(02)00947-2 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine