Compound Detail
CHEMBL4209273
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Basic Information
| ChEMBL ID | CHEMBL4209273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNGZBNMCFHEZDV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
3.39
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 6700.0 | nM | 5.17 | Antiviral activity against HBV infected in human HepAD38 cells assessed as reduc... | 28688280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28688280 | 10.1016/j.ejmech.2017.06.062 | Hepatitis B virus | 3 |
| 28688280 | 10.1016/j.ejmech.2017.06.062 | PBMC | 1 |
| 28688280 | 10.1016/j.ejmech.2017.06.062 | CCRF-CEM | 1 |
| 28688280 | 10.1016/j.ejmech.2017.06.062 | Vero | 1 |
| 28688280 | 10.1016/j.ejmech.2017.06.062 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine