Compound Detail
CHEMBL278418
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL278418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXUJYJGKHLVRJG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
265.1
MW (Da)
-0.73
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.43
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 5.43 | 4.9633 | 3700.0 | 3 |
| Duck hepatitis B virus CHEMBL613761 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Duck hepatitis B virus | EC50 | = | 3700.0 | nM | 5.43 | Inhibition of duck HBV transfected in primary duck hepatocytes | 16539393 |
| Hepatitis B virus | EC50 | = | 3700.0 | nM | 5.43 | Inhibition of HBV L180M/ M204V mutant transfected in D88 cell line | 16539393 |
| Hepatitis B virus | EC50 | = | 18500.0 | nM | 4.73 | Inhibition of wild type HBV transfected in human hepatoblastoma 2.2.15 cells | 16539393 |
| Hepatitis B virus | EC50 | = | 18500.0 | nM | 4.73 | Inhibition of HBV M204I mutant transfected in B1 cell line | 16539393 |
| ADMET | IC50 | = | 100000.0 | nM | 4.0 | The compound was tested for toxicity in peripheral blood mononuclear cells. | 1720175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539393 | 10.1021/jm058271d | Hepatitis B virus | 6 |
| 6092636 | 10.1021/jm00377a018 | L1210 | 3 |
| 1720175 | 10.1021/jm00115a022 | Vero | 2 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Mycobacterium tuberculosis | 2 |
| 16539393 | 10.1021/jm058271d | Duck hepatitis B virus | 2 |
| 6092636 | 10.1021/jm00377a018 | ADMET | 2 |
| 1720175 | 10.1021/jm00115a022 | ADMET | 2 |
| 6092636 | 10.1021/jm00377a018 | Vesicular stomatitis virus | 1 |
| 6092636 | 10.1021/jm00377a018 | Vaccinia virus | 1 |
| 6265637 | 10.1021/jm00138a022 | Thymidine kinase, cytosolic | 1 |
| 7328578 | 10.1021/jm00142a011 | L1210 | 1 |
| 6092636 | 10.1021/jm00377a018 | Human alphaherpesvirus 2 | 1 |
| 6092636 | 10.1021/jm00377a018 | Human alphaherpesvirus 1 | 1 |
| 16539393 | 10.1021/jm058271d | HepG2 | 1 |
| 16539393 | 10.1021/jm058271d | Vero | 1 |
| 17341060 | 10.1021/jm061445m | ADMET | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Mycobacterium avium | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Staphylococcus aureus | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Staphylococcus epidermidis | 1 |
| 17218105 | 10.1016/j.bmc.2006.12.032 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine