Compound Detail
CHEMBL4088137
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Basic Information
| ChEMBL ID | CHEMBL4088137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXDIPRBEEOZPFB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.00
ALogP
6
HBA
0
HBD
52.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 4.74 | 4.74 | 18100.0 | 1 |
| Poliovirus 3 CHEMBL613557 | EC50 | 4.7 | 4.7 | 19970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 14000.0 | nM | 4.85 | Antiviral activity against human rhinovirus 71 infected in human H1HeLa cells as... | 28587824 |
| rhinovirus B14 | EC50 | = | 18100.0 | nM | 4.74 | Antiviral activity against human rhinovirus 14 infected in human H1HeLa cells as... | 28587824 |
| Poliovirus 3 | EC50 | = | 19970.0 | nM | 4.7 | 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