Compound Detail
CHEMBL1808678
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Basic Information
| ChEMBL ID | CHEMBL1808678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQACUYLBHCGRGS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
318.2
MW (Da)
-1.33
ALogP
7
HBA
4
HBD
150.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 88000.0 | nM | 4.06 | Antiviral activity against Varicella-zoster virus strain OKA expressing thymidin... | 21745746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21745746 | 10.1016/j.bmc.2011.06.045 | Human alphaherpesvirus 3 | 4 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Human alphaherpesvirus 1 | 2 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Human betaherpesvirus 5 | 2 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | HEL | 2 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Human alphaherpesvirus 2 | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Vaccinia virus | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Vesicular stomatitis virus | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Coxsackievirus B4 | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Respiratory syncytial virus | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Human respirovirus 3 | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Mammalian orthoreovirus 1 | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Sindbis virus | 1 |
| 21745746 | 10.1016/j.bmc.2011.06.045 | Punta Toro virus | 1 |
Data from ChEMBL 36 via Core Engine