Compound Detail
CHEMBL3143180
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 | CHEMBL3143180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LESDMFDVYCKIEJ-RCCFBDPRSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
1.89
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.55 | 5.2525 | 2800.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 2800.0 | nM | 5.55 | The compound was tested for its effective concentration required to reduce virus... | 10866384 |
| Human alphaherpesvirus 3 | EC50 | = | 3600.0 | nM | 5.44 | The compound was tested for its effective concentration required to reduce virus... | 10866384 |
| Human alphaherpesvirus 3 | EC50 | = | 9600.0 | nM | 5.02 | The compound was tested for its effective concentration required to reduce virus... | 10866384 |
| Human alphaherpesvirus 3 | EC50 | = | 10000.0 | nM | 5.0 | The compound was tested for its effective concentration required to reduce virus... | 10866384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866384 | 10.1016/s0960-894x(00)00193-1 | Human alphaherpesvirus 3 | 4 |
| 10866384 | 10.1016/s0960-894x(00)00193-1 | NON-PROTEIN TARGET | 1 |
| 10866384 | 10.1016/s0960-894x(00)00193-1 | HEL | 1 |
Data from ChEMBL 36 via Core Engine