Compound Detail
CHEMBL182735
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CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(/C=C/C(=O)O)cc3C(F)(F)F)cc12
Basic Information
| ChEMBL ID | CHEMBL182735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOZISPMEYNRQNA-ZZXKWVIFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
7.22
ALogP
2
HBA
2
HBD
62.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor CHEMBL2111462 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor | EC50 | = | 3.2 | nM | 8.49 | 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 | 1 |
Data from ChEMBL 36 via Core Engine