Compound Detail
CHEMBL390155
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Basic Information
| ChEMBL ID | CHEMBL390155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILGQQKONHVZYNI-DJWKRKHSSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.35
ALogP
6
HBA
3
HBD
109.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.32
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 5.32 | 5.1733 | 4800.0 | 3 |
| Hepatitis B virus CHEMBL613497 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 4.1 | 4.1 | 79600.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | EC50 | = | 4800.0 | nM | 5.32 | Inhibition of EBV replication in Daudi cells by VCA ELISA | 15615545 |
| Human gammaherpesvirus 4 | EC50 | = | 8000.0 | nM | 5.1 | Inhibition of EBV replication in Daudi cells by DNA hybridization assay | 15615545 |
| Human gammaherpesvirus 4 | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against Epstein-Barr virus infected in human daudi cells by D... | 18082410 |
| Hepatitis B virus | IC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against Hepatitis B virus | 19112024 |
| Human alphaherpesvirus 3 | IC50 | = | 79600.0 | nM | 4.1 | Antiviral activity against Varicella zoster virus | 19112024 |
| Human immunodeficiency virus 1 | IC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615545 | 10.1021/jm040093l | HFF | 3 |
| 15615545 | 10.1021/jm040093l | Human gammaherpesvirus 4 | 3 |
| 15615545 | 10.1021/jm040093l | Human alphaherpesvirus 1 | 2 |
| 15615545 | 10.1021/jm040093l | Human betaherpesvirus 5 | 2 |
| 15615545 | 10.1021/jm040093l | Human alphaherpesvirus 2 | 2 |
| 15615545 | 10.1021/jm040093l | Vero | 2 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Hepatitis B virus | 1 |
| 18082410 | 10.1016/j.bmc.2007.11.082 | Unchecked | 1 |
| 18082410 | 10.1016/j.bmc.2007.11.082 | Daudi | 1 |
| 18082410 | 10.1016/j.bmc.2007.11.082 | Human gammaherpesvirus 4 | 1 |
| 15615545 | 10.1021/jm040093l | Hepatitis B virus | 1 |
| 15615545 | 10.1021/jm040093l | MT2 | 1 |
| 15615545 | 10.1021/jm040093l | Human immunodeficiency virus 1 | 1 |
| 15615545 | 10.1021/jm040093l | Human alphaherpesvirus 3 | 1 |
| 15615545 | 10.1021/jm040093l | CCRF-CEM | 1 |
| 15615545 | 10.1021/jm040093l | Daudi | 1 |
| 15615545 | 10.1021/jm040093l | ADMET | 1 |
Data from ChEMBL 36 via Core Engine