Compound Detail
CHEMBL418176
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 | CHEMBL418176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCRHBIZBPIKPKE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.5
MW (Da)
5.49
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3262 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC) | - |
| HepG2 | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory concentration against cholesterol biosynthesis in HepG2 cells. | - |
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