Compound Detail
CHEMBL165998
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Basic Information
| ChEMBL ID | CHEMBL165998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMECRKHQSBYASM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
212.6
MW (Da)
1.71
ALogP
4
HBA
2
HBD
97.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | IC50 | = | 90000.0 | nM | 4.05 | Antiviral activity was measured by plaque assay against HSV-1 virus by ELISA met... | 9057868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057868 | 10.1021/jm960462g | Human betaherpesvirus 5 | 1 |
| 9057868 | 10.1021/jm960462g | Human alphaherpesvirus 1 | 1 |
| 9057868 | 10.1021/jm960462g | HFF | 1 |
Data from ChEMBL 36 via Core Engine