Compound Detail
CHEMBL66412
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Basic Information
| ChEMBL ID | CHEMBL66412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMKFOVYTEUFMCU-HCGLCNNCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.0
MW (Da)
6.48
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 7.95 | 7.95 | 11.3 | 1 |
| Squalene--hopene cyclase CHEMBL3569 | IC50 | 6.39 | 6.39 | 406.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 11.3 | nM | 7.95 | Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver mi... | 12747780 |
| Squalene--hopene cyclase | IC50 | = | 406.0 | nM | 6.39 | Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidoc... | 12747780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747780 | 10.1021/jm0211218 | Squalene--hopene cyclase | 1 |
| 12747780 | 10.1021/jm0211218 | Lanosterol synthase | 1 |
Data from ChEMBL 36 via Core Engine