Compound Detail
CHEMBL126693
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)Nc4ccccc4)c3)c(Cl)c2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL126693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXZZOFUBDRCHGZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.3
MW (Da)
3.53
ALogP
8
HBA
3
HBD
143.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.55
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | Ki | = | 0.1 | nM | 10.0 | Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor | 12565933 |
| Thyroid hormone receptor beta | IC50 | = | 0.2818 | nM | 9.55 | Inhibition of human thyroid hormone receptor beta 1 | 17524652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565933 | 10.1016/s0960-894x(02)00947-2 | Thyroid hormone receptor beta | 1 |
| 12565933 | 10.1016/s0960-894x(02)00947-2 | Thyroid hormone receptor | 1 |
| 17524652 | 10.1016/j.bmc.2007.05.016 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine