Compound Detail
CHEMBL3754027
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Basic Information
| ChEMBL ID | CHEMBL3754027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGHPFIDDLHHTKE-UTBOHETQSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
-0.04
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.89
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.49 | 5.49 | 3250.0 | 1 |
| Ebolavirus CHEMBL4434621 | EC50 | 5.46 | 5.46 | 3510.0 | 1 |
| S-adenosylhomocysteine hydrolase-like protein 1 CHEMBL3751646 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 1300.0 | nM | 5.89 | Antiviral activity against Norovirus | 26750250 |
| Hepatitis B virus | EC50 | = | 3250.0 | nM | 5.49 | Antiviral activity against Hepatitis B virus | 26750250 |
| Ebolavirus | EC50 | = | 3510.0 | nM | 5.46 | Antiviral activity against Zaire ebolavirus infected in African monkey Vero cell... | 26750250 |
| S-adenosylhomocysteine hydrolase-like protein 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of S-adenosylhomocysteine hydrolase (unknown origin) | 26750250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750250 | 10.1016/j.bmcl.2015.12.061 | NON-PROTEIN TARGET | 2 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Ebolavirus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Vero | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Unchecked | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Human betaherpesvirus 5 | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Hepatitis B virus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Measles morbillivirus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | S-adenosylhomocysteine hydrolase-like protein 1 | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Rift Valley fever virus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Tacaribe virus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Dengue virus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Yellow fever virus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Hepatitis C virus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Japanese encephalitis virus | 1 |
| 26750250 | 10.1016/j.bmcl.2015.12.061 | Nipah virus | 1 |
Data from ChEMBL 36 via Core Engine