Compound Detail
CHEMBL3968504
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Basic Information
| ChEMBL ID | CHEMBL3968504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRQXXVYPARARJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
1.26
ALogP
6
HBA
6
HBD
122.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL2396505 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 80.0 | nM | 7.1 | Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia... | 27191615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27191615 | 10.1016/j.ejmech.2016.03.085 | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine