Compound Detail
CHEMBL4097631
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Basic Information
| ChEMBL ID | CHEMBL4097631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IADUOOJQGALFFS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
294.2
MW (Da)
3.68
ALogP
4
HBA
0
HBD
76.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B1 CHEMBL612677 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Poliovirus 1 CHEMBL613556 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B1 | IC50 | = | 750.0 | nM | 6.12 | Antiviral activity against Coxsackievirus B1 Connecticut 5 infected in human Hep... | 28870395 |
| Poliovirus 1 | IC50 | = | 2700.0 | nM | 5.57 | Antiviral activity against Poliovirus 1 LSc-2ab infected in human Hep2 cells ass... | 28870395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28870395 | 10.1016/j.bmcl.2017.08.056 | Coxsackievirus B1 | 4 |
| 28870395 | 10.1016/j.bmcl.2017.08.056 | Unchecked | 2 |
| 28870395 | 10.1016/j.bmcl.2017.08.056 | Poliovirus 1 | 1 |
| 28870395 | 10.1016/j.bmcl.2017.08.056 | HEp-2 | 1 |
| 28870395 | 10.1016/j.bmcl.2017.08.056 | Coxsackievirus B3 | 1 |
Data from ChEMBL 36 via Core Engine