Compound Detail
CHEMBL3142954
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3142954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEMRHQFODPJFFE-HCZOVWHVSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.2
MW (Da)
-1.28
ALogP
8
HBA
4
HBD
140.4
PSA (Ų)
0.20
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 5.8 | 5.2167 | 1600.0 | 3 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.84 | 4.84 | 14600.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 4.63 | 4.63 | 23600.0 | 1 |
| Human alphaherpesvirus 2 CHEMBL370 | EC50 | 4.11 | 4.11 | 77800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 1600.0 | nM | 5.8 | Inhibition of plaque formation in monolayers of HSV-1 KOS (TK+) Vero cells by 50... | 11585457 |
| Human alphaherpesvirus 1 | EC50 | = | 9400.0 | nM | 5.03 | Inhibition of plaque formation in monolayers of HSV-1 E-377 (TK+) Vero cells by ... | 11585457 |
| Human alphaherpesvirus 3 | EC50 | = | 14600.0 | nM | 4.84 | Inhibition of viral cytopathic effect in infected human foreskin fibroblast cell... | 11585457 |
| Human alphaherpesvirus 1 | EC50 | = | 15300.0 | nM | 4.82 | Inhibition of plaque formation in monolayers of HSV-1 KOSSB(TK-) Vero cells by 5... | 11585457 |
| Hepatitis B virus | EC50 | = | 23600.0 | nM | 4.63 | Ability to reduce the viral DNA in HBV infected primary duck hepatocytes to 50% | 11585457 |
| Human alphaherpesvirus 2 | EC50 | = | 77800.0 | nM | 4.11 | Inhibition of viral cytopathic effect in infected human foreskin fibroblast cell... | 11585457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585457 | 10.1021/jm010226s | Human alphaherpesvirus 1 | 3 |
| 11585457 | 10.1021/jm010226s | Human alphaherpesvirus 2 | 2 |
| 11585457 | 10.1021/jm010226s | Human alphaherpesvirus 3 | 1 |
| 11585457 | 10.1021/jm010226s | Hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine