Compound Detail
CHEMBL4089616
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 | CHEMBL4089616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFRACPLNOMGXAC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
4.90
ALogP
6
HBA
0
HBD
52.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus B14 CHEMBL613759 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Poliovirus 3 CHEMBL613557 | EC50 | 5.08 | 5.08 | 8350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus B14 | EC50 | = | 3700.0 | nM | 5.43 | Antiviral activity against human rhinovirus 14 infected in human H1HeLa cells as... | 28587824 |
| Unchecked | EC50 | = | 3800.0 | nM | 5.42 | Antiviral activity against human rhinovirus 71 infected in human H1HeLa cells as... | 28587824 |
| Poliovirus 3 | EC50 | = | 8350.0 | nM | 5.08 | 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