Compound Detail
CHEMBL504176
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Basic Information
| ChEMBL ID | CHEMBL504176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHWGCYGCPDIKQZ-GQCTYLIASA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
-0.20
ALogP
3
HBA
3
HBD
78.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 4.83 | 4.83 | 14700.0 | 1 |
| Hepatitis B virus CHEMBL613497 | IC50 | 4.7 | 4.7 | 20000.0 | 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 | IC50 | = | 760.0 | nM | 6.12 | Antiviral activity against Epstein-Barr virus | 19112024 |
| Human alphaherpesvirus 3 | IC50 | = | 14700.0 | nM | 4.83 | Antiviral activity against Varicella zoster virus | 19112024 |
| Hepatitis B virus | IC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against Hepatitis B virus | 19112024 |
| Human immunodeficiency virus 1 | IC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Hepatitis B virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human gammaherpesvirus 4 | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine