Compound Detail
CHEMBL2203702
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O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(C(=O)NCC(c3ccccc3)c3ccccc3)c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL2203702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXIBPBIVTHEEQG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.4
MW (Da)
6.68
ALogP
4
HBA
3
HBD
95.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 9.33 | 9.33 | 0.5 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 0.47 | nM | 9.33 | Binding affinity to TRbeta1 | 22512468 |
| Thyroid hormone receptor alpha | EC50 | = | 18.0 | nM | 7.75 | Binding affinity to TRalpha1 | 22512468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22512468 | 10.1021/jm2004706 | Thyroid hormone receptor beta | 1 |
| 22512468 | 10.1021/jm2004706 | Thyroid hormone receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine