Compound Detail
CHEMBL2115239
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CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)C12OS(=O)(=O)C=C2N
Basic Information
| ChEMBL ID | CHEMBL2115239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQGFUGDUYYXHKN-BVSLTHQCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
575.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
| MT4 CHEMBL388 | EC50 | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 180.0 | nM | 6.75 | compound was tested for antiviral activity against HIV-1 (3B) in MT-4 cell line,... | 9804703 |
| Human immunodeficiency virus | EC50 | = | 190.0 | nM | 6.72 | Effective concentration against HIV-1 induced cytopathicity in MT-4 cells | 7509877 |
| MT4 | EC50 | = | 206.0 | nM | 6.69 | Concentration required to inhibit HIV-1 induced cytopathicity in MT-4 cells by 5... | 1501224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1495006 | 10.1021/jm00093a002 | MT4 | 4 |
| 7509877 | 10.1021/jm00030a004 | Human immunodeficiency virus | 2 |
| 7509877 | 10.1021/jm00030a004 | MT4 | 2 |
| 9804703 | 10.1021/jm980370m | MT4 | 2 |
| 1501224 | 10.1021/jm00094a009 | MT4 | 2 |
| 1495006 | 10.1021/jm00093a002 | Human immunodeficiency virus 1 | 2 |
| 9804703 | 10.1021/jm980370m | Human immunodeficiency virus 1 | 1 |
| 1501224 | 10.1021/jm00094a009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine