Compound Detail
CHEMBL3215377
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
O=C([O-])CC(SCCCOC[C@H]1O[C@@H](O[C@H]2[C@H](OCCCSC(CC(=O)[O-])C(=O)[O-])[C@@H](OCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])O[C@@H]2COCCCSC(CC(=O)[O-])C(=O)[O-])[C@H](OCCCSC(CC(=O)[O-])C(=O)[O-])[C@@H](OCCCSC(CC(=O)[O-])C(=O)[O-])[C@@H]1OCCCSC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3215377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOOQDKWTWZWMMG-MDZWFRESSA-A |
| Parent Compound | CHEMBL3305942 |
| Active Moiety | CHEMBL3305942 |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1864.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 7.4 | 6.39 | 40.0 | 2 |
| HEL CHEMBL613888 | IC50 | 6.4 | 6.125 | 400.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| E6SM CHEMBL614149 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.27 | 4.27 | 54200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 40.0 | nM | 7.4 | Concentration required to inhibit human immunodeficiency virus-1 induced cytopat... | 9022801 |
| HEL | IC50 | = | 400.0 | nM | 6.4 | Concentration required to reduce human cytomegalo virus(Davis) inducted cytopath... | 9022801 |
| HEL | IC50 | = | 1400.0 | nM | 5.85 | Concentration required to reduce human cytomegalo virus(AD-169) inducted cytopat... | 9022801 |
| Human immunodeficiency virus 1 | IC50 | = | 1800.0 | nM | 5.75 | Concentration required to inhibit by 50% human immunodeficiency virus-1 induced ... | 9022801 |
| MT4 | IC50 | = | 4170.0 | nM | 5.38 | Concentration required to inhibit human immunodeficiency virus-2 induced cytopat... | 9022801 |
| E6SM | IC50 | = | 45000.0 | nM | 4.35 | Concentration required to reduce herpes simplex virus-1TK( B2006) inducted cytop... | 9022801 |
| HepG2 | IC50 | = | 54200.0 | nM | 4.27 | Concentration required to inhibit by 50% human immunodeficiency virus-2 induced ... | 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 | 4 |
| 9022801 | 10.1021/jm960348y | MT4 | 3 |
| 9022801 | 10.1021/jm960348y | HEL | 3 |
| 9022801 | 10.1021/jm960348y | Vaccinia virus | 2 |
| 9022801 | 10.1021/jm960348y | Human immunodeficiency virus 1 | 1 |
| 9022801 | 10.1021/jm960348y | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine