Compound Detail
CHEMBL357039
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O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)CCN([C@@H]2CS(=O)(=O)Cc3ccccc32)C1=O)O[C@H]1CCOC1
Basic Information
| ChEMBL ID | CHEMBL357039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGWDLWQFWSQXST-WUGDDBISSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
632.8
MW (Da)
3.99
ALogP
7
HBA
2
HBD
122.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 1.8 | nM | 8.74 | Compound was tested for inhibitory activity against Human immunodeficiency virus... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)80025-1 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine