Compound Detail
CHEMBL58026
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Basic Information
| ChEMBL ID | CHEMBL58026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMLGOQBBWPUWDR-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
292.2
MW (Da)
-0.34
ALogP
7
HBA
3
HBD
131.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
| Moloney murine sarcoma virus CHEMBL613501 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 8.86 | 8.86 | 1.4 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 8.86 | 8.86 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | IC50 | = | 0.1712 | nM | 9.77 | Antiviral activity against Varicella zoster virus | 19112024 |
| Human immunodeficiency virus 2 | IC50 | = | 0.3425 | nM | 9.46 | Antiviral activity against HIV2 | 19112024 |
| Human immunodeficiency virus 1 | IC50 | = | 0.3425 | nM | 9.46 | Antiviral activity against HIV1 | 19112024 |
| Moloney murine sarcoma virus | IC50 | = | 0.4555 | nM | 9.34 | Antiviral activity against Moloney sarcoma virus | 19112024 |
| Human alphaherpesvirus 1 | IC50 | = | 1.37 | nM | 8.86 | Antiviral activity against Herpes simplex virus 1 | 19112024 |
| Human alphaherpesvirus 2 | IC50 | = | 1.37 | nM | 8.86 | Antiviral activity against Herpes simplex virus 2 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960502 | 10.1021/jm011095y | E6SM | 3 |
| 11960502 | 10.1021/jm011095y | HEL | 3 |
| 11960502 | 10.1021/jm011095y | CCRF-CEM | 3 |
| 11960502 | 10.1021/jm011095y | Human alphaherpesvirus 3 | 1 |
| 11960502 | 10.1021/jm011095y | Moloney murine sarcoma virus | 1 |
| 11960502 | 10.1021/jm011095y | L1210 | 1 |
| 11960502 | 10.1021/jm011095y | L929 | 1 |
| 11960502 | 10.1021/jm011095y | HeLa | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Moloney murine sarcoma virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine