Compound Detail
CHEMBL183176
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CCOC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL183176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSVXSQJRGAXHNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.4
MW (Da)
6.62
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor CHEMBL2111462 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor | EC50 | = | 3.0 | nM | 8.52 | Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells | 15780617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780617 | 10.1016/j.bmcl.2005.02.028 | Thyroid hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine