Compound Detail
CHEMBL116819
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Basic Information
| ChEMBL ID | CHEMBL116819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYYMJCVMDRSWJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
0.86
ALogP
6
HBA
2
HBD
73.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 40.0 | nM | 7.4 | Ability to reduce the viral DNA in HBV infected primary duck hepatocytes to 50% | 11585457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11585457 | 10.1021/jm010226s | Hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine