Compound Detail
CHEMBL1090779
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Basic Information
| ChEMBL ID | CHEMBL1090779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPUHGRMCBDPTIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.2
MW (Da)
1.97
ALogP
6
HBA
4
HBD
163.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 4.75 | 4.75 | 17680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 17680.0 | nM | 4.75 | Inhibition of squalene synthase in rat liver microsomes assessed as conversion o... | 20299227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20299227 | 10.1016/j.bmc.2010.02.058 | Squalene synthase | 5 |
| 20299227 | 10.1016/j.bmc.2010.02.058 | Hydroxyapatite | 2 |
| 20299227 | 10.1016/j.bmc.2010.02.058 | Farnesyl pyrophosphate synthase | 2 |
| 20299227 | 10.1016/j.bmc.2010.02.058 | RAW264.7 | 1 |
| 20299227 | 10.1016/j.bmc.2010.02.058 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine