Compound Detail
CHEMBL3334764
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Basic Information
| ChEMBL ID | CHEMBL3334764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXOXDCKVIMMEHC-WLGLDCGKSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
-1.41
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.14
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Measles morbillivirus CHEMBL613738 | EC50 | 6.14 | 6.14 | 720.0 | 1 |
| Ebolavirus CHEMBL4434621 | EC50 | 6.12 | 6.12 | 760.0 | 1 |
| Dengue virus CHEMBL613757 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 27.0 | nM | 7.57 | Inhibition of rabbit erythrocyte S-adenosylhomocysteine hydrolase | 25155914 |
| Measles morbillivirus | EC50 | = | 720.0 | nM | 6.14 | Antiviral activity against Measles virus infected in african green monkey Vero c... | 25155914 |
| Ebolavirus | EC50 | = | 760.0 | nM | 6.12 | Antiviral activity against Ebolavirus Zaire infected in african green monkey Ver... | 25155914 |
| Dengue virus | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against Dengue virus infected in african green monkey Vero ce... | 25155914 |
| Human betaherpesvirus 5 | EC50 | = | 3700.0 | nM | 5.43 | Antiviral activity against human cytomegalovirus infected in HFF cells assessed ... | 25155914 |
| NON-PROTEIN TARGET | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Norovirus infected in HG23 cells assessed as inhibiti... | 25155914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25155914 | 10.1016/j.bmc.2014.07.051 | Unchecked | 8 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | Human betaherpesvirus 5 | 2 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | NON-PROTEIN TARGET | 2 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | Measles morbillivirus | 2 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | Hepatitis B virus | 1 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | Vaccinia virus | 1 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | ADMET | 1 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | Dengue virus | 1 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | Vero | 1 |
| 25155914 | 10.1016/j.bmc.2014.07.051 | Ebolavirus | 1 |
Data from ChEMBL 36 via Core Engine