Compound Detail
CHEMBL384019
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O=C([O-])CC(SCCCOCC1OC(OCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C1COCC1OC(COCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C1OCCCSC(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 | CHEMBL384019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFWYXKZONPCSEU-UHFFFAOYSA-A |
| Parent Compound | CHEMBL1207271 |
| Active Moiety | CHEMBL1207271 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1892.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 6.17 | 5.95 | 670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 670.0 | nM | 6.17 | Concentration required to inhibit human immunodeficiency virus-1 induced cytopat... | 9022801 |
| MT4 | IC50 | = | 1850.0 | nM | 5.73 | Concentration required to inhibit human immunodeficiency virus-1 induced cytopat... | 9022801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022801 | 10.1021/jm960348y | E6SM | 18 |
| 9022801 | 10.1021/jm960348y | Vero | 16 |
| 9022801 | 10.1021/jm960348y | HeLa | 8 |
| 9022801 | 10.1021/jm960348y | MT4 | 6 |
| 9022801 | 10.1021/jm960348y | HEL | 6 |
| 9022801 | 10.1021/jm960348y | Vaccinia virus | 4 |
| 9022801 | 10.1021/jm960348y | Human immunodeficiency virus 1 | 2 |
| 9022801 | 10.1021/jm960348y | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine