Compound Detail
CHEMBL2036403
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Basic Information
| ChEMBL ID | CHEMBL2036403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTZGLLZFGBTSLV-UITAMQMPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
-0.35
ALogP
9
HBA
3
HBD
128.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | IC50 | = | 13900.0 | nM | 4.86 | Antiviral activity against VZV infected in human HFF cells assessed as reduction... | 22607883 |
| Human betaherpesvirus 5 | IC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against HCMV infected in human HFF cells assessed as reductio... | 22607883 |
| Human gammaherpesvirus 4 | IC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against EBV Akata infected in human Akata cells assessed as r... | 22607883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607883 | 10.1016/j.bmc.2012.04.049 | ADMET | 3 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | NON-PROTEIN TARGET | 2 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 1 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 2 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human alphaherpesvirus 3 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human betaherpesvirus 5 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | HFF | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human gammaherpesvirus 4 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | MOLT-3 | 1 |
| 22607883 | 10.1016/j.bmc.2012.04.049 | Human gammaherpesvirus 8 | 1 |
Data from ChEMBL 36 via Core Engine