Compound Detail
CHEMBL16711
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O=C(O)c1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL16711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQDZSPFFMWBAMX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
5.05
ALogP
6
HBA
3
HBD
133.9
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 7.96 | 7.96 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 11.0 | nM | 7.96 | Binding affinity against HIV-1 protease | 9089336 |
| Human immunodeficiency virus type 1 protease | Ki | = | 11.0 | nM | 7.96 | Inhibition of HIV-1 protease. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9089336 | 10.1021/jm960441m | Human immunodeficiency virus type 1 protease | 1 |
| 9089336 | 10.1021/jm960441m | Human immunodeficiency virus 1 | 1 |
| 9089336 | 10.1021/jm960441m | H9 | 1 |
| - | 10.1016/S0960-894X(97)00031-0 | Human immunodeficiency virus type 1 protease | 1 |
| - | 10.1016/S0960-894X(97)00031-0 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine