Compound Detail
CHEMBL4454474
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C[C@H](C[C@H]1CCCN(C)C1=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4454474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMGSPNCVNICDCX-NELWDGDQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.7
MW (Da)
5.82
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4105785 | EC50 | 6.62 | 6.62 | 239.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 239.0 | nM | 6.62 | Transactivation of rat LXRbeta expressed in HEK293FT cells measured after 14 to ... | 30952591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30952591 | 10.1016/j.bmcl.2019.03.051 | Oxysterols receptor LXR-beta | 2 |
Data from ChEMBL 36 via Core Engine