Compound Detail
CHEMBL237096
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O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4CCc5ccccc54)c3)c(Cl)c2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL237096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MELLYQQBUHNUAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
547.4
MW (Da)
3.48
ALogP
8
HBA
2
HBD
134.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 9.19 | 9.19 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 0.6457 | nM | 9.19 | Inhibition of human thyroid hormone receptor beta 1 | 17524652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17524652 | 10.1016/j.bmc.2007.05.016 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine