Compound Detail
CHEMBL333562
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Basic Information
| ChEMBL ID | CHEMBL333562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVXSUBIQNBZFNG-XWLWVQCSSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
183.3
MW (Da)
1.39
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta(14)-sterol reductase CHEMBL2366411 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Sterol-8,7-isomerase CHEMBL2366492 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cycloeucalenol cycloisomerase CHEMBL2366413 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta(14)-sterol reductase | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using ... | 2591378 |
| Sterol-8,7-isomerase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Zea mays (maize) delta8,delta7-sterol isomerase | 2591378 |
| Cycloeucalenol cycloisomerase | IC50 | = | 17500.0 | nM | 4.76 | Inhibition of Zea mays (maize) cycloeucalenol-obtusifolial isomerase | 2591378 |
| HepG2 | IC50 | = | 19000.0 | nM | 4.72 | Compound was tested for inhibition of cholesterol biosynthesis in HepG2 cells fr... | 1404239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1404239 | 10.1021/jm00097a017 | Lanosterol synthase | 1 |
| 1404239 | 10.1021/jm00097a017 | HepG2 | 1 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Sterol-8,7-isomerase | 1 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Delta(14)-sterol reductase | 1 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Cycloeucalenol cycloisomerase | 1 |
Data from ChEMBL 36 via Core Engine