Compound Detail
CHEMBL5425718
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C[C@@H]1[C@@]2(CC[C@](C)(O)CO2)O[C@H]2C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@]21O)C[C@@H]1CC[C@H]2[C@H]3C[C@@H]4O[C@@]5(CCC(C)(C)O5)[C@@H](C)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]2[C@@]1(C)C7
Basic Information
| ChEMBL ID | CHEMBL5425718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORQGJGXNWBQQPK-SLEPEMCHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
899.2
MW (Da)
6.40
ALogP
11
HBA
5
HBD
163.8
PSA (Ų)
0.18
QED
3
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterol-binding protein 1 CHEMBL4523203 | Ki | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterol-binding protein 1 | Ki | = | 28.0 | nM | 7.55 | Displacement of [3H]-25-OHC from human OSBP 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