Compound Detail
CHEMBL3360969
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
CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1
Basic Information
| ChEMBL ID | CHEMBL3360969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SALZQMSOIKCKNM-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
473.0
MW (Da)
5.55
ALogP
6
HBA
1
HBD
72.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.27
Ki 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta CHEMBL3430878 | Ki | 7.08 | 7.08 | 83.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 6.21 | 6.21 | 620.0 | 1 |
| Liver X receptor CHEMBL3706564 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha CHEMBL3430879 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta | Ki | = | 83.0 | nM | 7.08 | Binding affinity to LXRbeta-RXRalpha heterodimer (unknown origin) expressed in i... | 25435151 |
| Oxysterols receptor LXR-alpha | EC50 | = | 540.0 | nM | 6.27 | Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferas... | 25435151 |
| Oxysterols receptor LXR-beta | EC50 | = | 620.0 | nM | 6.21 | Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase... | 25435151 |
| Liver X receptor | EC50 | = | 800.0 | nM | 6.1 | Transactivation of LXR (unknown origin) expressed in human HeLa cells by ABCA1 L... | 25435151 |
| Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha | Ki | = | 1500.0 | nM | 5.82 | Binding affinity to LXRalpha-RXRalpha heterodimer (unknown origin) expressed in ... | 25435151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25435151 | 10.1016/j.bmcl.2014.11.029 | Liver X receptor | 2 |
| 25435151 | 10.1016/j.bmcl.2014.11.029 | Oxysterols receptor LXR-beta | 2 |
| 25435151 | 10.1016/j.bmcl.2014.11.029 | Oxysterols receptor LXR-alpha | 2 |
| 25435151 | 10.1016/j.bmcl.2014.11.029 | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta | 1 |
| 25435151 | 10.1016/j.bmcl.2014.11.029 | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine