Compound Detail
CHEMBL364472
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Basic Information
| ChEMBL ID | CHEMBL364472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMEPUAROFJSGJN-RXMQYKEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
118.1
MW (Da)
-0.61
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sindbis virus CHEMBL613725 | EC50 | 6.0 | 5.735 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sindbis virus | EC50 | = | 1000.0 | nM | 6.0 | Effective concentration resulting in a 50% reduction in virus production in BHK ... | 15927464 |
| Sindbis virus | EC50 | = | 3400.0 | nM | 5.47 | Antiviral activity against Sindbis virus replication in BHK cells after 12 hrs b... | 17287124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17287124 | 10.1016/j.bmc.2007.01.040 | ADMET | 2 |
| 15927464 | 10.1016/j.bmcl.2005.05.013 | Sindbis virus | 1 |
| 15927464 | 10.1016/j.bmcl.2005.05.013 | ADMET | 1 |
| 17287124 | 10.1016/j.bmc.2007.01.040 | Sindbis virus | 1 |
Data from ChEMBL 36 via Core Engine