Compound Detail
CHEMBL4177085
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Basic Information
| ChEMBL ID | CHEMBL4177085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFJAKNFXMDLHKM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.86
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 5.52 | 5.52 | 3030.0 | 1 |
| HBV genotype D CHEMBL612769 | EC50 | 5.34 | 5.34 | 4530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 3030.0 | nM | 5.52 | Antiviral activity against Hepatitis B virus infected in human HepG2.117 cells a... | 29906396 |
| HBV genotype D | EC50 | = | 4530.0 | nM | 5.34 | Antiviral activity against HBV genotype D infected in human HepG2.2.15 cells ass... | 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