Compound Detail
CHEMBL1256386
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Basic Information
| ChEMBL ID | CHEMBL1256386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBBJCSTXCAQSSJ-JAGXHNFQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
-1.57
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Duck hepatitis B virus CHEMBL613761 | EC50 | 5.42 | 5.42 | 3840.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 4.72 | 4.72 | 19230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Duck hepatitis B virus | EC50 | = | 3840.0 | nM | 5.42 | Antiviral activity against DHBV infected in duck hepatocytes assessed as inhibit... | 20857959 |
| Hepatitis B virus | EC50 | = | 19230.0 | nM | 4.72 | Antiviral activity against HBV assessed as inhibition of viral DNA replication | 20857959 |
| Hepatitis B virus | EC50 | = | 19230.0 | nM | 4.72 | Antiviral activity against drug resistant HBV infected in M204I cells assessed a... | 20857959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20857959 | 10.1021/jm100803c | Hepatitis B virus | 5 |
| 20857959 | 10.1021/jm100803c | Duck hepatitis B virus | 3 |
| 20857959 | 10.1021/jm100803c | ADMET | 1 |
Data from ChEMBL 36 via Core Engine