Compound Detail
CHEMBL5429365
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C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL5429365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRVVKLCNAWNZES-QJUJILNVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.7
MW (Da)
6.58
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterol-binding protein 1 CHEMBL4523203 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Oxysterol-binding protein 2 CHEMBL5465343 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterol-binding protein 1 | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]-25-OHC from human OSBP overexpressed in HEK293T cell lysate... | 36916802 |
| Oxysterol-binding protein 2 | Ki | = | 51.0 | nM | 7.29 | Displacement of [3H]-25-OHC from human ORP4 overexpressed in HEK293T cell lysate... | 36916802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36916802 | 10.1021/acs.jmedchem.2c01025 | Oxysterol-binding protein 1 | 1 |
| 36916802 | 10.1021/acs.jmedchem.2c01025 | Oxysterol-binding protein 2 | 1 |
Data from ChEMBL 36 via Core Engine