Compound Detail
CHEMBL3142960
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O=C([O-])CCSCCCOC[C@H]1O[C@@](COCCCSCCC(=O)[O-])(O[C@H]2O[C@H](COCCCSCCC(=O)[O-])[C@@H](OCCCSCCC(=O)[O-])[C@H](OCCCSCCC(=O)[O-])[C@H]2OCCCSCCC(=O)[O-])[C@@H](OCCCSCCC(=O)[O-])[C@@H]1OCCCSCCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3142960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYKJYRPVUUDZTH-CSVZXVSQSA-F |
| Parent Compound | CHEMBL3305994 |
| Active Moiety | CHEMBL3305994 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1512.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 29000.0 | nM | 4.54 | Concentration required to inhibit human immunodeficiency virus-1 induced cytopat... | 9022801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022801 | 10.1021/jm960348y | E6SM | 9 |
| 9022801 | 10.1021/jm960348y | Vero | 8 |
| 9022801 | 10.1021/jm960348y | HeLa | 6 |
| 9022801 | 10.1021/jm960348y | MT4 | 3 |
| 9022801 | 10.1021/jm960348y | CEM-4 | 2 |
| 9022801 | 10.1021/jm960348y | Vaccinia virus | 2 |
| 9022801 | 10.1021/jm960348y | Human immunodeficiency virus 1 | 1 |
| 9022801 | 10.1021/jm960348y | HepG2 | 1 |
| 9022801 | 10.1021/jm960348y | HEL | 1 |
Data from ChEMBL 36 via Core Engine