Compound Detail
CHEMBL2111213
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 | CHEMBL2111213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZCOCXVXPHTSQM-KXFIGUGUSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
265.2
MW (Da)
-0.24
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 4.73 | 4.73 | 18500.0 | 1 |
| MEF CHEMBL614342 | EC50 | 4.72 | 4.72 | 18900.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.5 | 4.5 | 31700.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.48 | 4.42 | 33000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 20.0 | nM | 7.7 | In vitro effective concentration required to inhibit hepatitisB virus (HBV) repl... | 14736238 |
| Human gammaherpesvirus 4 | EC50 | = | 18500.0 | nM | 4.73 | In vitro effective concentration required to inhibit Epstein-Barr virus (EBV) re... | 14736238 |
| MEF | EC50 | = | 18900.0 | nM | 4.72 | In vitro effective concentration required to inhibit murine cytomegalovirus (MCM... | 14736238 |
| Human alphaherpesvirus 3 | EC50 | = | 31700.0 | nM | 4.5 | In vitro effective concentration required to inhibit varicella zoster virus (VZV... | 14736238 |
| Human betaherpesvirus 5 | EC50 | = | 33000.0 | nM | 4.48 | In vitro effective concentration required to inhibit towne strain of human cytom... | 14736238 |
| Human betaherpesvirus 5 | EC50 | = | 43700.0 | nM | 4.36 | In vitro effective concentration required to inhibit AD169 strain of human cytom... | 14736238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736238 | 10.1021/jm030316s | Human betaherpesvirus 5 | 3 |
| 14736238 | 10.1021/jm030316s | Human gammaherpesvirus 4 | 3 |
| 14736238 | 10.1021/jm030316s | HFF | 2 |
| 14736238 | 10.1021/jm030316s | Human alphaherpesvirus 3 | 1 |
| 14736238 | 10.1021/jm030316s | MEF | 1 |
| 14736238 | 10.1021/jm030316s | Murid betaherpesvirus 1 | 1 |
| 14736238 | 10.1021/jm030316s | Hepatitis B virus | 1 |
| 14736238 | 10.1021/jm030316s | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine