Compound Detail
CHEMBL479371
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CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)C[C@@H](O)c1ccccn1
Basic Information
| ChEMBL ID | CHEMBL479371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWIRUPXBOJTXFO-JOCHJYFZSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
480.9
MW (Da)
3.28
ALogP
7
HBA
2
HBD
100.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 6.83 | 100.0 | 2 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| DNA polymerase catalytic subunit CHEMBL5944 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | IC50 | = | 90.0 | nM | 7.05 | Antiviral activity against VZV Webster by plaque reduction assay | 18595689 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of VZV DNA polymerase by scintillation proximity assay | 18595689 |
| Human betaherpesvirus 5 | IC50 | = | 170.0 | nM | 6.77 | Antiviral activity against HCMV Davis by plaque reduction assay | 18595689 |
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Inhibition of HCMV DNA polymerase by scintillation proximity assay | 18595689 |
| DNA polymerase catalytic subunit | IC50 | = | 350.0 | nM | 6.46 | Inhibition of HSV1 DNA polymerase by scintillation proximity assay | 18595689 |
| Human alphaherpesvirus 1 | IC50 | = | 5400.0 | nM | 5.27 | Antiviral activity against HSV1 KOS by plaque reduction assay | 18595689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Unchecked | 5 |
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Human betaherpesvirus 5 | 1 |
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Human gammaherpesvirus 4 | 1 |
| 18595689 | 10.1016/j.bmcl.2008.06.060 | HFF | 1 |
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Human alphaherpesvirus 3 | 1 |
| 18595689 | 10.1016/j.bmcl.2008.06.060 | Human alphaherpesvirus 1 | 1 |
| 18595689 | 10.1016/j.bmcl.2008.06.060 | DNA polymerase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine