Compound Detail
CHEMBL3236716
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Basic Information
| ChEMBL ID | CHEMBL3236716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNNQNMFTVUSPJK-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.85
ALogP
6
HBA
2
HBD
110.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.6 | 8.986 | 0.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.25 | nM | 9.6 | Antiviral activity against HIV-1 harboring wild-type reverse transcriptase | 25089812 |
| Human immunodeficiency virus 1 | EC50 | = | 0.8 | nM | 9.1 | Antiviral activity against wild type HIV1 infected in human Hela-JC53 cells asse... | 24631361 |
| Human immunodeficiency virus 1 | EC50 | = | 1.1 | nM | 8.96 | Antiviral activity against HIV-1 harboring RT Y188L mutant | 25089812 |
| Human immunodeficiency virus 1 | EC50 | = | 1.4 | nM | 8.85 | Antiviral activity against HIV-1 harboring RT Y181C mutant | 25089812 |
| Human immunodeficiency virus 1 | EC50 | = | 3.8 | nM | 8.42 | Antiviral activity against HIV-1 harboring RT K103N/Y181C double mutant | 25089812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25089812 | 10.1016/j.ejmech.2014.07.104 | Human immunodeficiency virus 1 | 4 |
| 24631361 | 10.1016/j.bmc.2014.02.029 | Human immunodeficiency virus 1 | 3 |
| 24631361 | 10.1016/j.bmc.2014.02.029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine