Compound Detail
CHEMBL486197
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CC(C)[C@H](C)[C@@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@]12C
Basic Information
| ChEMBL ID | CHEMBL486197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTTVISRUYFBLEW-MREQRLIMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.7
MW (Da)
5.97
ALogP
3
HBA
3
HBD
60.7
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 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-alpha | EC50 | = | 450.0 | nM | 6.35 | Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL2... | 16124770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16124770 | 10.1021/np050182g | Oxysterols receptor LXR-alpha | 3 |
| 16124770 | 10.1021/np050182g | Oxysterols receptor LXR-beta | 3 |
| 16124770 | 10.1021/np050182g | Liver X receptor (LXR alpha AND LXR beta) | 1 |
Data from ChEMBL 36 via Core Engine