Compound Detail
CHEMBL4101992
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Basic Information
| ChEMBL ID | CHEMBL4101992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPYRFOXCZBULAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.7
MW (Da)
4.27
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coxsackievirus B3 CHEMBL613554 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coxsackievirus B3 | IC50 | = | 9900.0 | nM | 5.0 | Antiviral activity against Coxsackievirus B3 Nancy infected in human Hep2 cells ... | 28870395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 B1 | 1 |
| 28870395 | 10.1016/j.bmcl.2017.08.056 | Coxsackievirus B3 | 1 |
| 28870395 | 10.1016/j.bmcl.2017.08.056 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine