Compound Detail
CHEMBL4092018
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Basic Information
| ChEMBL ID | CHEMBL4092018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALNNGGKMLANTKH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.25
ALogP
7
HBA
0
HBD
61.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Poliovirus 3 CHEMBL613557 | EC50 | 5.44 | 5.44 | 3630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1800.0 | nM | 5.75 | Antiviral activity against human rhinovirus 71 infected in human H1HeLa cells as... | 28587824 |
| rhinovirus B14 | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against human rhinovirus 14 infected in human H1HeLa cells as... | 28587824 |
| rhinovirus A21 | EC50 | = | 2600.0 | nM | 5.58 | Antiviral activity against human rhinovirus 21 infected in human H1HeLa cells as... | 28587824 |
| Poliovirus 3 | EC50 | = | 3630.0 | nM | 5.44 | Antiviral activity against human poliovirus 3 infected in human HeLa cells asses... | 28587824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28587824 | 10.1016/j.bmcl.2017.05.030 | HeLa | 1 |
| 28587824 | 10.1016/j.bmcl.2017.05.030 | Coxsackievirus B1 | 1 |
| 28587824 | 10.1016/j.bmcl.2017.05.030 | Coxsackievirus B3 | 1 |
| 28587824 | 10.1016/j.bmcl.2017.05.030 | Poliovirus 3 | 1 |
| 28587824 | 10.1016/j.bmcl.2017.05.030 | H1-HeLa | 1 |
| 28587824 | 10.1016/j.bmcl.2017.05.030 | rhinovirus B14 | 1 |
| 28587824 | 10.1016/j.bmcl.2017.05.030 | rhinovirus A21 | 1 |
| 28587824 | 10.1016/j.bmcl.2017.05.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine