Compound Detail
CHEMBL612005
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CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CN4CCCC4)nc4c(C(F)(F)F)cccn34)c2)c1
Basic Information
| ChEMBL ID | CHEMBL612005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZBNGPXKCIHTTC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
5.81
ALogP
6
HBA
0
HBD
63.9
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | IC50 | 6.55 | 6.55 | 279.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | IC50 | = | 279.0 | nM | 6.55 | Displacement of [3H]T0901317 from human recombinant LXRalpha LBD | 20005711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005711 | 10.1016/j.bmcl.2009.11.098 | Oxysterols receptor LXR-alpha | 2 |
| 20005711 | 10.1016/j.bmcl.2009.11.098 | Oxysterols receptor LXR-beta | 2 |
Data from ChEMBL 36 via Core Engine