Compound Detail
CHEMBL447605
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Basic Information
| ChEMBL ID | CHEMBL447605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNEWRUZLRNBTSY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
288.7
MW (Da)
4.22
ALogP
4
HBA
0
HBD
76.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B3 CHEMBL613554 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B3 | IC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Coxsackievirus B3 assessed as reduction of virus-indu... | 18710805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Coxsackievirus B3 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Coxsackievirus B1 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Coxsackievirus B2 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Coxsackievirus B4 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Coxsackievirus B5 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Coxsackievirus B6 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Coxsackievirus A24 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Echovirus E9 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | Echovirus E11 | 1 |
| 18710805 | 10.1016/j.bmcl.2008.07.099 | enterovirus D68 | 1 |
Data from ChEMBL 36 via Core Engine