Compound Detail
CHEMBL4078916
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4078916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJVVQFJRHJZCGC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.57
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Poliovirus 3 CHEMBL613557 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 380.0 | nM | 6.42 | Antiviral activity against Human rhinovirus A71 infected in human H1HeLa cells a... | 28581749 |
| rhinovirus A21 | EC50 | = | 1500.0 | nM | 5.82 | Antiviral activity against Human rhinovirus A21 infected in human H1HeLa cells a... | 28581749 |
| Poliovirus 3 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Human poliovirus 3 infected in human HeLa cells asses... | 28581749 |
| rhinovirus B14 | EC50 | = | 10100.0 | nM | 5.0 | Antiviral activity against Human rhinovirus B14 infected in human H1HeLa cells a... | 28581749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28581749 | 10.1021/acs.jmedchem.7b00175 | Unchecked | 5 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | rhinovirus B14 | 1 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | rhinovirus A21 | 1 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | H1-HeLa | 1 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | Poliovirus 3 | 1 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine