Compound Detail
CHEMBL16120
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Basic Information
| ChEMBL ID | CHEMBL16120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRBLHPMALRRPIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
7.87
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.10
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene monooxygenase CHEMBL3592 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene monooxygenase | IC50 | = | 960.0 | nM | 6.02 | In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring... | - |
| HepG2 | IC50 | = | 2100.0 | nM | 5.68 | In vitro cholesterol biosynthesis inhibition in human HepG2 by measuring the ext... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00175-3 | Squalene monooxygenase | 1 |
| - | 10.1016/S0960-894X(97)00175-3 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine