Compound Detail
CHEMBL3143164
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Basic Information
| ChEMBL ID | CHEMBL3143164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVRKQWFWACVJGU-PWRODBHTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.09
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.96 | 5.925 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 1100.0 | nM | 5.96 | Compound was evaluated for the inhibition of VZV strains of YS | 10579812 |
| Human alphaherpesvirus 3 | EC50 | = | 1300.0 | nM | 5.89 | Compound was evaluated for the inhibition of VZV strains of OKA | 10579812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579812 | 10.1021/jm990346o | Human alphaherpesvirus 3 | 4 |
| 10579812 | 10.1021/jm990346o | HEL | 2 |
Data from ChEMBL 36 via Core Engine