Compound Detail
CHEMBL419016
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Basic Information
| ChEMBL ID | CHEMBL419016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVTCIUMSNPONAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.39
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | Kd | 9.44 | 9.44 | 0.4 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | Kd | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | Kd | = | 0.36 | nM | 9.44 | Binding affinity of compound was determined against thyroid hormone receptor bet... | 12825953 |
| Thyroid hormone receptor alpha | Kd | = | 2.4 | nM | 8.62 | Binding affinity of compound was determined against Thyroid hormone receptor alp... | 12825953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825953 | 10.1021/jm0301181 | Thyroid hormone receptor alpha | 1 |
| 12825953 | 10.1021/jm0301181 | Thyroid hormone receptor beta | 1 |
| 12825953 | 10.1021/jm0301181 | Thyroid hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine