Compound Detail
CHEMBL163518
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O=C(O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(C(=O)c3ccc(Cl)cc3)c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL163518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJNIVBQUNDUOLQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
5.40
ALogP
5
HBA
3
HBD
112.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL3917 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 52.0 | nM | 7.28 | In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine... | 7861417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861417 | 10.1021/jm00004a015 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine