Compound Detail
CHEMBL63524
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 | CHEMBL63524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBISDXXCZPAFHE-SNAWJCMRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
4.73
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Squalene--hopene cyclase CHEMBL3569 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver mi... | 12747780 |
| Squalene--hopene cyclase | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidoc... | 12747780 |
| Unchecked | IC50 | = | 39.81 | nM | 7.4 | Inhibition of squalene-hopene cyclase | 17981368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747780 | 10.1021/jm0211218 | Squalene--hopene cyclase | 1 |
| 12747780 | 10.1021/jm0211218 | Lanosterol synthase | 1 |
| 17981368 | 10.1016/j.ejmech.2007.09.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine