Compound Detail
CHEMBL3746006
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NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[Se][Se]c2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3746006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGYYPSSISYWBLX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
708.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.55 | 5.315 | 2820.0 | 2 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 5.52 | 5.52 | 3030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2820.0 | nM | 5.55 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 26613134 |
| Human immunodeficiency virus 2 | EC50 | = | 3030.0 | nM | 5.52 | Antiviral activity against HIV2 ROD infected in human MT4 cells assessed as prot... | 26613134 |
| Human immunodeficiency virus 1 | EC50 | = | 8250.0 | nM | 5.08 | Antiviral activity against HIV1 3B persistently infected in HUT78 cells assessed... | 26613134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26613134 | 10.1021/acs.jmedchem.5b01183 | Unchecked | 4 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | Human immunodeficiency virus 1 | 3 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | Human immunodeficiency virus 2 | 1 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | MT4 | 1 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | HuT78 | 1 |
Data from ChEMBL 36 via Core Engine