Compound Detail
CHEMBL3143033
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Basic Information
| ChEMBL ID | CHEMBL3143033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTIZSFPCLTWSOD-ARFHVFGLSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.14
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 7.57 | 6.786 | 27.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 27.0 | nM | 7.57 | Antiviral activity against Varicella zoster virus assessed as inhibition of vira... | 33894564 |
| Human alphaherpesvirus 3 | EC50 | = | 170.0 | nM | 6.77 | Compound was evaluated for the inhibition of VZV strains of OKA | 10579812 |
| Human alphaherpesvirus 3 | EC50 | = | 170.0 | nM | 6.77 | Effective concentration required for reduction of plaque formation of Varicella-... | 11212118 |
| Human alphaherpesvirus 3 | EC50 | = | 390.0 | nM | 6.41 | Compound was evaluated for the inhibition of VZV strains of YS | 10579812 |
| Human alphaherpesvirus 3 | EC50 | = | 390.0 | nM | 6.41 | Effective concentration required for reduction of plaque formation of Varicella-... | 11212118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579812 | 10.1021/jm990346o | Human alphaherpesvirus 3 | 4 |
| 11212118 | 10.1016/s0960-894x(00)00672-7 | Human alphaherpesvirus 3 | 4 |
| 10579812 | 10.1021/jm990346o | HEL | 2 |
| 11212118 | 10.1016/s0960-894x(00)00672-7 | HEL | 2 |
| 11212118 | 10.1016/s0960-894x(00)00672-7 | No relevant target | 1 |
| 33894564 | 10.1016/j.ejmech.2021.113467 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine