Compound Detail
CHEMBL1090238
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O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccc(-c2cccc(CN3CCNCC3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL1090238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZBKXBZDNHTOOM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
5.29
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | IC50 | = | 398.11 | nM | 6.4 | Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 h... | 20345102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20345102 | 10.1021/jm901797p | Oxysterols receptor LXR-beta | 1 |
Data from ChEMBL 36 via Core Engine