Compound Detail
CHEMBL5199892
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Basic Information
| ChEMBL ID | CHEMBL5199892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVJXBKQHRQKUJJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
4.19
ALogP
7
HBA
1
HBD
96.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | IC50 | 8.82 | 8.48 | 1.5 | 3 |
| HepG2 2.2.15 CHEMBL4296438 | IC50 | 4.67 | 4.67 | 21480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | IC50 | = | 1.5 | nM | 8.82 | Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as re... | 35700597 |
| Hepatitis B virus | IC50 | = | 2.0 | nM | 8.7 | Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as re... | 35700597 |
| Hepatitis B virus | IC50 | = | 12.1 | nM | 7.92 | Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as re... | 35700597 |
| HepG2 2.2.15 | IC50 | = | 21480.0 | nM | 4.67 | Cytotoxicity against human HepG2.2.15 cells assessed as reduction in cell viabil... | 35700597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35700597 | 10.1016/j.ejmech.2022.114518 | Hepatitis B virus | 3 |
| 35700597 | 10.1016/j.ejmech.2022.114518 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine