Compound Detail
CHEMBL122299
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Basic Information
| ChEMBL ID | CHEMBL122299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEOYGWMFSCQWJY-VVSUKSJXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.7
MW (Da)
6.35
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3262 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 210.0 | nM | 6.68 | Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained fro... | 1404239 |
| HepG2 | IC50 | = | 2000.0 | nM | 5.7 | 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