Compound Detail
CHEMBL1672142
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O=C1C(OCc2ccccc2)C(OCc2ccccc2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34
Basic Information
| ChEMBL ID | CHEMBL1672142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHHJEWZLXMNTAE-VBJCNYAASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
4.26
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Duck hepatitis B virus CHEMBL613761 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Duck hepatitis B virus | IC50 | = | 2760.0 | nM | 5.56 | Antiviral activity against DHBV infected in human HepG2(2.2.15) cells assessed a... | 21218816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21218816 | 10.1021/jm101325h | HepG2 2.2.15 | 1 |
| 21218816 | 10.1021/jm101325h | Unchecked | 1 |
| 21218816 | 10.1021/jm101325h | ADMET | 1 |
| 21218816 | 10.1021/jm101325h | Duck hepatitis B virus | 1 |
Data from ChEMBL 36 via Core Engine