Compound Detail
CHEMBL165179
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Basic Information
| ChEMBL ID | CHEMBL165179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWCMCWCMGDILNA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
-0.48
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Duck hepatitis B virus CHEMBL613761 | EC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 4.71 | 4.51 | 19600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Duck hepatitis B virus | EC50 | = | 3900.0 | nM | 5.41 | Inhibition of duck HBV transfected in primary duck hepatocytes | 16539393 |
| Hepatitis B virus | EC50 | = | 19600.0 | nM | 4.71 | Inhibition of wild type HBV transfected in human hepatoblastoma 2.2.15 cells | 16539393 |
| Hepatitis B virus | EC50 | = | 39300.0 | nM | 4.41 | Inhibition of HBV M204I mutant transfected in B1 cell line | 16539393 |
| Hepatitis B virus | EC50 | = | 39300.0 | nM | 4.41 | Inhibition of HBV L180M/ M204V mutant transfected in D88 cell line | 16539393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539393 | 10.1021/jm058271d | Hepatitis B virus | 6 |
| 16539393 | 10.1021/jm058271d | Duck hepatitis B virus | 2 |
| 6265637 | 10.1021/jm00138a022 | Thymidine kinase, cytosolic | 1 |
| 6265637 | 10.1021/jm00138a022 | Detroit 98 | 1 |
| 6265637 | 10.1021/jm00138a022 | L cells | 1 |
| 16539393 | 10.1021/jm058271d | HepG2 | 1 |
| 16539393 | 10.1021/jm058271d | Vero | 1 |
Data from ChEMBL 36 via Core Engine