Compound Detail
CHEMBL348349
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
CC(C)=CCC/C(C)=C/CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL348349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPQNBJKCBXAQKQ-AMBMTFPGSA-J |
| Parent Compound | CHEMBL286760 |
| Active Moiety | CHEMBL286760 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
3.53
ALogP
2
HBA
4
HBD
115.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3815 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity against rat liver microsomal squalene synthase was determine... | 8576905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576905 | 10.1021/jm9507340 | Rattus norvegicus | 2 |
| 8576905 | 10.1021/jm9507340 | Squalene synthase | 1 |
Data from ChEMBL 36 via Core Engine