Compound Detail
CHEMBL2407817
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Basic Information
| ChEMBL ID | CHEMBL2407817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORKPQBQQHIVIIQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.43
ALogP
7
HBA
2
HBD
96.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Poliovirus 1 CHEMBL613556 | EC50 | 7.42 | 7.42 | 38.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 7.41 | 7.41 | 39.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | EC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 15.0 | nM | 7.82 | Antienteroviral activity against Enterovirus 71 infected in human RD cells asses... | 24900715 |
| Poliovirus 1 | EC50 | = | 38.0 | nM | 7.42 | Antienteroviral activity against poliovirus 1 infected in african green monkey V... | 24900715 |
| rhinovirus B14 | EC50 | = | 39.0 | nM | 7.41 | Antienteroviral activity against Human rhinovirus 14 infected in human HeLa cell... | 24900715 |
| Coxsackievirus B3 | EC50 | = | 68.0 | nM | 7.17 | Antienteroviral activity against Coxsackievirus B3 infected in african green mon... | 24900715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900715 | 10.1021/ml400095m | Unchecked | 1 |
| 24900715 | 10.1021/ml400095m | Enterovirus A71 | 1 |
| 24900715 | 10.1021/ml400095m | Poliovirus 1 | 1 |
| 24900715 | 10.1021/ml400095m | Coxsackievirus B3 | 1 |
| 24900715 | 10.1021/ml400095m | HeLa | 1 |
| 24900715 | 10.1021/ml400095m | rhinovirus B14 | 1 |
Data from ChEMBL 36 via Core Engine