Compound Detail
CHEMBL3357216
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Basic Information
| ChEMBL ID | CHEMBL3357216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSASROCLCYETED-WEPFQVLXSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
-0.18
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| Tacaribe virus CHEMBL613131 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Pichinde virus CHEMBL613742 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Rift Valley fever virus CHEMBL613130 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.26 | 4.26 | 55210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of rabbit erythrocyte SAHase using S-adenosyl-L-homocysteine as subst... | 25456389 |
| Human betaherpesvirus 5 | IC50 | = | 1490.0 | nM | 5.83 | Antiviral activity against human cytomegalovirus infected in HFF cells | 25456389 |
| Tacaribe virus | IC50 | = | 6400.0 | nM | 5.19 | Antiviral activity against Tacaribe virus infected in African green monkey Vero ... | 25456389 |
| Pichinde virus | IC50 | = | 30000.0 | nM | 4.52 | Antiviral activity against Pichinde virus infected in African green monkey Vero ... | 25456389 |
| Rift Valley fever virus | IC50 | = | 34000.0 | nM | 4.47 | Antiviral activity against Rift Valley fever virus infected in African green mon... | 25456389 |
| Vaccinia virus | IC50 | = | 55210.0 | nM | 4.26 | Antiviral activity against Vaccinia virus infected in HFF cells | 25456389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25456389 | 10.1016/j.bmc.2014.10.014 | Unchecked | 8 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | ADMET | 2 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Vero | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Tacaribe virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Pichinde virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Rift Valley fever virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | MRC5 | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Measles morbillivirus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | HEK293 | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Human papillomavirus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Human betaherpesvirus 5 | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | HFF | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Vaccinia virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Monkeypox virus | 1 |
Data from ChEMBL 36 via Core Engine