Compound Detail
CHEMBL5410105
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CCOC(=O)C1=C(CN2CCN(C(C(=O)O)c3ccsc3)CC2)NC(c2nccs2)=NC1c1ccc(F)cc1Br
Basic Information
| ChEMBL ID | CHEMBL5410105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BELDZNHZIKHTNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
648.6
MW (Da)
4.46
ALogP
10
HBA
2
HBD
107.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 70.0 | nM | 7.16 | Antiviral activity against HBV infected human HePAD38 cells assessed as reductio... | 37974964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37974964 | 10.1039/d3md00461a | Hepatitis B virus | 1 |
| 37974964 | 10.1039/d3md00461a | Unchecked | 1 |
| 37974964 | 10.1039/d3md00461a | ADMET | 1 |
Data from ChEMBL 36 via Core Engine