Compound Detail
CHEMBL1766671
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Basic Information
| ChEMBL ID | CHEMBL1766671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJMAOFGNNKVSTP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.17
ALogP
5
HBA
2
HBD
85.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus A16 CHEMBL5209663 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| Enterovirus A71 CHEMBL612436 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| Coxsackievirus B6 CHEMBL612778 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B3 | IC50 | = | 18700.0 | nM | 4.73 | Antiviral activity against Coxsackievirus B3 infected in african green monkey Ve... | 21441033 |
| Coxsackievirus A16 | IC50 | = | 18700.0 | nM | 4.73 | Antiviral activity against Coxsackievirus A16 infected in african green monkey V... | 21441033 |
| Coxsackievirus B6 | IC50 | = | 18700.0 | nM | 4.73 | Antiviral activity against Coxsackievirus B6 infected in african green monkey Ve... | 21441033 |
| Enterovirus A71 | IC50 | = | 18700.0 | nM | 4.73 | Antiviral activity against Human enterovirus 71 infected in african green monkey... | 21441033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21441033 | 10.1016/j.bmc.2011.03.007 | Unchecked | 4 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Vero | 1 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Coxsackievirus B3 | 1 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Coxsackievirus A16 | 1 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Coxsackievirus B6 | 1 |
| 21441033 | 10.1016/j.bmc.2011.03.007 | Enterovirus A71 | 1 |
Data from ChEMBL 36 via Core Engine