Compound Detail
CHEMBL4204130
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Basic Information
| ChEMBL ID | CHEMBL4204130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKTJWPRYRKBNKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
3.89
ALogP
8
HBA
1
HBD
66.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Core antigen CHEMBL1075091 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Core antigen | EC50 | = | 250.0 | nM | 6.6 | Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cell... | 28082068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28082068 | 10.1016/j.bmc.2016.12.017 | Core antigen | 1 |
Data from ChEMBL 36 via Core Engine