Compound Detail
CHEMBL1090916
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Basic Information
| ChEMBL ID | CHEMBL1090916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBLAZFHAAGNFFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
5.20
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.83
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| THP-1 CHEMBL614245 | EC50 | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | IC50 | = | 81.0 | nM | 7.09 | Displacement of [3H]T0901317 from human LXRbeta ligand binding domain | 20350005 |
| THP-1 | EC50 | = | 1470.0 | nM | 5.83 | Induction of ABCA1 expression in human THP1 cells | 20350005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20350005 | 10.1021/jm100034x | Oxysterols receptor LXR-alpha | 3 |
| 20350005 | 10.1021/jm100034x | THP-1 | 2 |
| 20350005 | 10.1021/jm100034x | HepG2 | 1 |
| 20350005 | 10.1021/jm100034x | Oxysterols receptor LXR-beta | 1 |
Data from ChEMBL 36 via Core Engine