Compound Detail
CHEMBL183320
ISOMAGNOLOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL183320 |
| Name | ISOMAGNOLOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROPDWYIWHWKVLI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
4.64
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | IC50 | 5.05 | 4.9767 | 8830.0 | 3 |
| HepG2 CHEMBL395 | IC50 | 4.29 | 4.29 | 51800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | IC50 | = | 8830.0 | nM | 5.05 | Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells ... | 23434030 |
| Hepatitis B virus | IC50 | = | 10340.0 | nM | 4.99 | Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells ... | 23434030 |
| Hepatitis B virus | IC50 | = | 12920.0 | nM | 4.89 | Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells ... | 23434030 |
| HepG2 | IC50 | = | 51800.0 | nM | 4.29 | Cytotoxicity of compound against human liver tumor cell line (Hep-G2) was determ... | 15582432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434030 | 10.1016/j.bmcl.2013.01.046 | Unchecked | 3 |
| 23434030 | 10.1016/j.bmcl.2013.01.046 | Hepatitis B virus | 3 |
| 15582432 | 10.1016/j.bmcl.2004.10.011 | HepG2 | 1 |
| - | 10.1021/np50028a012 | Saccharomyces cerevisiae | 1 |
| - | 10.1021/np50028a012 | Trichophyton mentagrophytes | 1 |
| - | 10.1021/np50028a012 | Staphylococcus aureus | 1 |
| - | 10.1021/np50028a012 | Mycolicibacterium smegmatis | 1 |
| 23434030 | 10.1016/j.bmcl.2013.01.046 | ADMET | 1 |
| 31278004 | 10.1016/j.bmc.2019.06.042 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine