Compound Detail
CHEMBL311050
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 | CHEMBL311050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQWNFBGVGJSEIS-SFHVURJKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
3.53
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.03 | 5.03 | 9300.0 | 2 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 9300.0 | nM | 5.03 | Ability to inhibit HIV-1 Reverse Transcriptase (RT) using an rC-dG template/prim... | 7520079 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of HIV1 reverse transcriptase | 30516990 |
| Human immunodeficiency virus | IC50 | = | 9300.0 | nM | 5.03 | Antiviral activity against HIV IIIB infected in human MT4 cells | 37393791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7520079 | 10.1021/jm00041a023 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 30516990 | 10.1021/acs.jmedchem.8b00843 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 37393791 | 10.1016/j.ejmech.2023.115586 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine