Compound Detail
CHEMBL377998
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Basic Information
| ChEMBL ID | CHEMBL377998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYHOYJZPTHQAMU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
250.6
MW (Da)
-1.48
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Duck hepatitis B virus CHEMBL613761 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Duck hepatitis B virus | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against duck HBV in primary duck hepatocytes | 16759112 |
| Hepatitis B virus | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against HBV M204I mutant transfected in B1 cell line | 16759112 |
| Hepatitis B virus | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against wild type HBV in human hepatoma 2.2.15 cells | 16759112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759112 | 10.1021/jm060102l | Hepatitis B virus | 6 |
| 16759112 | 10.1021/jm060102l | Duck hepatitis B virus | 2 |
| 16759112 | 10.1021/jm060102l | HepG2 | 1 |
| 16759112 | 10.1021/jm060102l | Vero | 1 |
Data from ChEMBL 36 via Core Engine