Compound Detail
CHEMBL120689
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 | CHEMBL120689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWFIAWKTJCQSOV-CWBXHPNXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.7
MW (Da)
5.36
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 52000.0 | nM | 4.28 | 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 |
Data from ChEMBL 36 via Core Engine