Compound Detail
CHEMBL4094501
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Basic Information
| ChEMBL ID | CHEMBL4094501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRINGADUEDEYHJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.17
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poliovirus 3 CHEMBL613557 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poliovirus 3 | EC50 | = | 44.0 | nM | 7.36 | Antiviral activity against Human poliovirus 3 infected in human HeLa cells asses... | 28581749 |
| Unchecked | EC50 | = | 1600.0 | nM | 5.8 | Antiviral activity against Human rhinovirus A71 infected in human H1HeLa cells a... | 28581749 |
| rhinovirus A21 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Human rhinovirus A21 infected in human H1HeLa cells a... | 28581749 |
| rhinovirus B14 | EC50 | = | 11000.0 | nM | 4.96 | 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