Compound Detail
CHEMBL204000
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Basic Information
| ChEMBL ID | CHEMBL204000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZLSQPUWISEQJQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
0.05
ALogP
7
HBA
2
HBD
93.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 4.74 | 4.74 | 18200.0 | 1 |
| Duck hepatitis B virus CHEMBL613761 | EC50 | 4.44 | 4.44 | 36400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 18200.0 | nM | 4.74 | Inhibition of wild type HBV transfected in human hepatoblastoma 2.2.15 cells | 16539393 |
| Duck hepatitis B virus | EC50 | = | 36400.0 | nM | 4.44 | Inhibition of duck HBV transfected in primary duck hepatocytes | 16539393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539393 | 10.1021/jm058271d | Hepatitis B virus | 4 |
| 16539393 | 10.1021/jm058271d | Duck hepatitis B virus | 2 |
| 16539393 | 10.1021/jm058271d | HepG2 | 1 |
| 16539393 | 10.1021/jm058271d | Vero | 1 |
Data from ChEMBL 36 via Core Engine