Compound Detail
CHEMBL504793
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Basic Information
| ChEMBL ID | CHEMBL504793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRWQXKIMQGCLEI-UHFFFAOYSA-N |
7
Targets
12
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
265.2
MW (Da)
-0.71
ALogP
7
HBA
4
HBD
148.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 10.6 | 10.52 | 0.0 | 2 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 10.48 | 10.46 | 0.0 | 2 |
| Vaccinia virus CHEMBL613493 | IC50 | 9.74 | 9.74 | 0.2 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 7.52 | 7.52 | 30.2 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 6.65 | 6.65 | 226.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.52 | 6.52 | 302.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 0.025 | nM | 10.6 | Antiviral activity against Herpes simplex virus 1 | 19112024 |
| Human alphaherpesvirus 2 | IC50 | = | 0.033 | nM | 10.48 | Antiviral activity against Herpes simplex virus 2 | 19112024 |
| Human alphaherpesvirus 1 | IC50 | = | 0.03623 | nM | 10.44 | Antiviral activity against Herpes simplex virus 1 | 19112024 |
| Human alphaherpesvirus 2 | IC50 | = | 0.03623 | nM | 10.44 | Antiviral activity against Herpes simplex virus 2 | 19112024 |
| Vaccinia virus | IC50 | = | 0.18 | nM | 9.74 | Antiviral activity against Vaccinia virus | 19112024 |
| Human betaherpesvirus 5 | IC50 | = | 0.19 | nM | 9.72 | Antiviral activity against Human cytomegalovirus | 19112024 |
| Human immunodeficiency virus 2 | IC50 | = | 30.2 | nM | 7.52 | Antiviral activity against HIV2 | 19112024 |
| Human alphaherpesvirus 3 | IC50 | = | 226.0 | nM | 6.65 | Antiviral activity against Varicella zoster virus | 19112024 |
| Human immunodeficiency virus 1 | IC50 | = | 302.0 | nM | 6.52 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 1 | 2 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 2 | 2 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 2 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 2 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human betaherpesvirus 5 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Moloney murine sarcoma virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine