Compound Detail
CHEMBL5288702
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CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1C2COC3OCC1C3C2)S(=O)(=O)c1ccc(B(O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL5288702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIKRDCAMSNJRAO-FCHJHLRLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
602.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Ki 1 meas. best 10.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 10.81 | 10.81 | 0.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 7.42 | 7.42 | 37.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 0.0155 | nM | 10.81 | Inhibition of HIV-1 protease | 32302879 |
| Human immunodeficiency virus | IC50 | = | 37.7 | nM | 7.42 | Antiviral activity against HIV infected in human MT-2 cells | 32302879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32302879 | 10.1016/j.ejmech.2020.112270 | Human immunodeficiency virus type 1 protease | 1 |
| 32302879 | 10.1016/j.ejmech.2020.112270 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine