Compound Detail
CHEMBL4159641
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Basic Information
| ChEMBL ID | CHEMBL4159641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCAAQHLZWPOJLJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.54
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HBV genotype D CHEMBL612769 | EC50 | 6.12 | 6.12 | 750.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.44 | 5.44 | 3630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HBV genotype D | EC50 | = | 750.0 | nM | 6.12 | Antiviral activity against HBV genotype D infected in human HepG2.2.15 cells ass... | 29906396 |
| Hepatitis B virus | EC50 | = | 3630.0 | nM | 5.44 | Antiviral activity against Hepatitis B virus infected in human HepG2.117 cells a... | 29906396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29906396 | 10.1021/acs.jmedchem.8b00654 | ADMET | 2 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | Hepatitis B virus | 1 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | No relevant target | 1 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | HBV genotype D | 1 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | HepG2 | 1 |
| 29906396 | 10.1021/acs.jmedchem.8b00654 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine