Compound Detail
CHEMBL92289
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Basic Information
| ChEMBL ID | CHEMBL92289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXDNQJCXIVLMQW-RXMQYKEDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
-1.37
ALogP
9
HBA
5
HBD
176.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 800.0 | nM | 6.1 | Tested in vitro against HCMV AD-169 strain in MRC-5 cells | 8410987 |
| MRC5 | IC50 | = | 800.0 | nM | 6.1 | In vitro antiherpesvirus activity against MRC-5 cells infected with HCMV (AD-169... | 1323678 |
| Human alphaherpesvirus 2 | IC50 | = | 97000.0 | nM | 4.01 | Tested in vitro against HSV 2 G strain in vero cells | 8410987 |
| Vero | IC50 | = | 97000.0 | nM | 4.01 | In vitro antiherpesvirus activity against vero cells infected with HSV-2(G strai... | 1323678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410987 | 10.1021/jm00071a003 | Human betaherpesvirus 5 | 2 |
| 8410987 | 10.1021/jm00071a003 | Human alphaherpesvirus 2 | 2 |
| 1323678 | 10.1021/jm00094a005 | CCRF-CEM | 2 |
| 1323678 | 10.1021/jm00094a005 | MRC5 | 2 |
| 1323678 | 10.1021/jm00094a005 | Vero | 2 |
| 8410987 | 10.1021/jm00071a003 | Human immunodeficiency virus 1 | 1 |
| 8410987 | 10.1021/jm00071a003 | CCRF-CEM | 1 |
| 8410987 | 10.1021/jm00071a003 | Unchecked | 1 |
| 1323678 | 10.1021/jm00094a005 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine