Compound Detail
CHEMBL611487
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Basic Information
| ChEMBL ID | CHEMBL611487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SATDRNPWLIWVOP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
4.93
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lanosterol synthase CHEMBL3593 | IC50 | 7.8 | 7.67 | 15.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 281.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lanosterol synthase | IC50 | = | 15.85 | nM | 7.8 | Inhibition of oxidosqualene cyclase | 17760433 |
| Lanosterol synthase | IC50 | = | 28.84 | nM | 7.54 | Inhibition of oxidosqualene cyclase | 17981368 |
| Unchecked | IC50 | = | 281.84 | nM | 6.55 | Inhibition of squalene-hopene cyclase | 17981368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17760433 | 10.1021/jm0704651 | Lanosterol synthase | 1 |
| 17981368 | 10.1016/j.ejmech.2007.09.019 | Unchecked | 1 |
| 17981368 | 10.1016/j.ejmech.2007.09.019 | Lanosterol synthase | 1 |
Data from ChEMBL 36 via Core Engine