Compound Detail
CHEMBL57071
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Basic Information
| ChEMBL ID | CHEMBL57071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBDIJKFIVWMZGE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
337.9
MW (Da)
5.22
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus CHEMBL613749 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Echovirus E11 CHEMBL613751 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Poliovirus 2 CHEMBL613752 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus | IC50 | = | 10.0 | nM | 8.0 | Antiviral activity against Rhinovirus | 31226653 |
| Echovirus E11 | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Echovirus-11 | 31226653 |
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Echovirus-3 | 31226653 |
| Poliovirus 2 | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human poliovirus 2 infected in mouse | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2989517 | 10.1021/jm00383a010 | Enterovirus | 27 |
| 2989517 | 10.1021/jm00383a010 | Mus musculus | 12 |
| 2989517 | 10.1021/jm00383a010 | rhinovirus A2 | 2 |
| 2989517 | 10.1021/jm00383a010 | Poliovirus 2 | 2 |
| 2999407 | 10.1021/jm00150a025 | Enterovirus | 1 |
| 2999407 | 10.1021/jm00150a025 | Mus musculus | 1 |
| 2989517 | 10.1021/jm00383a010 | Unchecked | 1 |
| 2989517 | 10.1021/jm00383a010 | Echovirus E9 | 1 |
| 2989517 | 10.1021/jm00383a010 | Poliovirus 3 | 1 |
| 2989517 | 10.1021/jm00383a010 | Echovirus E11 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Enterovirus | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Echovirus E11 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Unchecked | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Poliovirus 2 | 1 |
Data from ChEMBL 36 via Core Engine