Compound Detail
CHEMBL17239
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL17239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCVCTCCMKYNZFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.6
MW (Da)
5.16
ALogP
2
HBA
1
HBD
40.5
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 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Lanosterol synthase CHEMBL3262 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against cholesterol biosynthesis in HepG2 cells. | - |
| Lanosterol synthase | IC50 | = | 10000.0 | nM | 5.0 | 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