Compound Detail
CHEMBL175951
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Basic Information
| ChEMBL ID | CHEMBL175951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRTOLVMEXDSGIM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
3.36
ALogP
6
HBA
1
HBD
94.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 800.0 | nM | 6.1 | Effective concentration to inhibit 50% of hepatitis B virus replication in a cel... | 15658867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658867 | 10.1021/jm034265a | Unchecked | 2 |
| 15658867 | 10.1021/jm034265a | Hepatitis B virus | 1 |
| 15658867 | 10.1021/jm034265a | Hepatitis C virus | 1 |
| 15658867 | 10.1021/jm034265a | Human alphaherpesvirus 1 | 1 |
| 15658867 | 10.1021/jm034265a | Human alphaherpesvirus 2 | 1 |
| 15658867 | 10.1021/jm034265a | Human gammaherpesvirus 4 | 1 |
| 15658867 | 10.1021/jm034265a | MT2 | 1 |
| 15658867 | 10.1021/jm034265a | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine