Compound Detail
CHEMBL442796
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Basic Information
| ChEMBL ID | CHEMBL442796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYVCOLQXDJKOFO-BDAKNGLRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
-0.44
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.97 | 4.97 | 10610.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.71 | 4.71 | 19430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | EC50 | = | 10610.0 | nM | 4.97 | Antiviral activity against HCMV AD169 | 17188402 |
| Human immunodeficiency virus 1 | EC50 | = | 19430.0 | nM | 4.71 | Antiviral activity against HIV1 in MT4 cells | 17188402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human immunodeficiency virus 1 | 1 |
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human alphaherpesvirus 1 | 1 |
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human alphaherpesvirus 2 | 1 |
| 17188402 | 10.1016/j.ejmech.2006.11.002 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine