Compound Detail
CHEMBL17737
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Basic Information
| ChEMBL ID | CHEMBL17737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUCQABKJUGPSFW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.6
MW (Da)
5.25
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Lanosterol synthase CHEMBL3262 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against cholesterol biosynthesis in HepG2 cells. | - |
| Lanosterol synthase | IC50 | = | 420.0 | nM | 6.38 | Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80309-1 | Lanosterol synthase | 1 |
| - | 10.1016/S0960-894X(00)80309-1 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine