Compound Detail
CHEMBL279569
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Basic Information
| ChEMBL ID | CHEMBL279569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIGRKYJRTIZDFW-CWBXHPNXSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
351.6
MW (Da)
6.03
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Delta(14)-sterol reductase CHEMBL2366411 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Cycloeucalenol cycloisomerase CHEMBL2366413 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Lanosterol synthase CHEMBL3262 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 10.0 | nM | 8.0 | Compound was tested for inhibition of cholesterol biosynthesis in HepG2 cells fr... | 1404239 |
| Delta(14)-sterol reductase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using ... | 2591378 |
| Cycloeucalenol cycloisomerase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Zea mays (maize) cycloeucalenol-obtusifolial isomerase | 2591378 |
| Lanosterol synthase | IC50 | = | 550.0 | nM | 6.26 | Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC) | - |
| Lanosterol synthase | IC50 | = | 550.0 | nM | 6.26 | Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained fro... | 1404239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80309-1 | Lanosterol synthase | 1 |
| 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