Compound Detail
CHEMBL146699
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Basic Information
| ChEMBL ID | CHEMBL146699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBBYNEFCHSEPIW-UHFFFAOYSA-N |
7
Targets
10
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
-0.76
ALogP
8
HBA
4
HBD
177.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.96
EC50 3 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | IC50 | = | 0.11 | nM | 9.96 | Antiviral activity against Varicella zoster virus | 19112024 |
| Human betaherpesvirus 5 | IC50 | = | 0.15 | nM | 9.82 | Antiviral activity against Human cytomegalovirus | 19112024 |
| Human immunodeficiency virus 1 | IC50 | = | 0.3 | nM | 9.52 | Antiviral activity against HIV1 | 19112024 |
| Human immunodeficiency virus 2 | IC50 | = | 0.3 | nM | 9.52 | Antiviral activity against HIV2 | 19112024 |
| Human alphaherpesvirus 1 | IC50 | = | 1.2 | nM | 8.92 | Antiviral activity against Herpes simplex virus 1 | 19112024 |
| Human alphaherpesvirus 2 | IC50 | = | 1.2 | nM | 8.92 | Antiviral activity against Herpes simplex virus 2 | 19112024 |
| Vaccinia virus | IC50 | = | 1.2 | nM | 8.92 | Antiviral activity against Vaccinia virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584956 | 10.1021/jm030932o | NON-PROTEIN TARGET | 3 |
| 14584956 | 10.1021/jm030932o | Cytomegalovirus | 2 |
| 14584956 | 10.1021/jm030932o | Human alphaherpesvirus 3 | 2 |
| 14584956 | 10.1021/jm030932o | Human immunodeficiency virus 1 | 1 |
| 14584956 | 10.1021/jm030932o | Human immunodeficiency virus 2 | 1 |
| 14584956 | 10.1021/jm030932o | Moloney murine sarcoma virus | 1 |
| 14584956 | 10.1021/jm030932o | CCRF-CEM | 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 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human betaherpesvirus 5 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Vaccinia virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine