Compound Detail
CHEMBL68274
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL68274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HESKXPHOZZLDAZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
-1.08
ALogP
9
HBA
4
HBD
150.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory activity against HIV in Alex cells | 2165163 |
| Human immunodeficiency virus | IC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against HIV | 26116177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2165163 | 10.1021/jm00170a019 | Human immunodeficiency virus | 1 |
| 2165163 | 10.1021/jm00170a019 | ADMET | 1 |
| 26116177 | 10.1016/j.bmc.2015.06.016 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine