Compound Detail
CHEMBL4094610
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CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4094610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCZQDKIUGZGCAN-JDVKSECFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.7
MW (Da)
7.00
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta CHEMBL4093 | EC50 | 5.64 | 5.64 | 2310.0 | 1 |
| Oxysterols receptor LXR-alpha CHEMBL2808 | EC50 | 5.16 | 5.16 | 6930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterols receptor LXR-beta | EC50 | = | 2310.0 | nM | 5.64 | Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs b... | 28741954 |
| Oxysterols receptor LXR-alpha | EC50 | = | 6930.0 | nM | 5.16 | Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs ... | 28741954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28741954 | 10.1021/acs.jmedchem.7b00091 | Unchecked | 8 |
| 28741954 | 10.1021/acs.jmedchem.7b00091 | Oxysterols receptor LXR-alpha | 2 |
| 28741954 | 10.1021/acs.jmedchem.7b00091 | Oxysterols receptor LXR-beta | 2 |
| 28741954 | 10.1021/acs.jmedchem.7b00091 | Peroxisome proliferator-activated receptor gamma | 1 |
| 28741954 | 10.1021/acs.jmedchem.7b00091 | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine