Compound Detail
CHEMBL4164183
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C[C@H](CO)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4164183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVAOADXYWQWGGB-ZQBDSGMFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
4.55
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta(24)-sterol reductase CHEMBL2331059 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta(24)-sterol reductase | IC50 | = | 0.1 | nM | 10.0 | Inhibition of DHCR24-mediated cholesterol biosynthesis in human HL60 cells asses... | 28964935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28964935 | 10.1016/j.ejmech.2017.08.011 | HL-60 | 5 |
| 28964935 | 10.1016/j.ejmech.2017.08.011 | Delta(24)-sterol reductase | 2 |
Data from ChEMBL 36 via Core Engine