Compound Detail
CHEMBL457687
TRISNORSQUALENE DIFLUOROMETHYLIDENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL457687 |
| Name | TRISNORSQUALENE DIFLUOROMETHYLIDENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSXSIZULFIRURF-OGDZRKEVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.7
MW (Da)
10.42
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.18
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene monooxygenase CHEMBL4241 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene monooxygenase | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of rat squalene epoxidase | 11520216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520216 | 10.1021/np010100y | Squalene monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine