Compound Detail
CHEMBL50879
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Basic Information
| ChEMBL ID | CHEMBL50879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDFKVPHKTHDMBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
-0.79
ALogP
8
HBA
3
HBD
130.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory activity against HIV in Alex cells | 2165163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2913300 | 10.1021/jm00122a019 | ADMET | 3 |
| 2913300 | 10.1021/jm00122a019 | L1210 | 2 |
| - | 10.1016/S0960-894X(00)80470-9 | HFF | 2 |
| 2165163 | 10.1021/jm00170a019 | Human immunodeficiency virus | 1 |
| 2913300 | 10.1021/jm00122a019 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine