Compound Detail
CHEMBL3344319
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Basic Information
| ChEMBL ID | CHEMBL3344319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNNONJZCEWUIHC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.4
MW (Da)
6.13
ALogP
7
HBA
1
HBD
83.4
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5419 | IC50 | 5.66 | 5.435 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 2200.0 | nM | 5.66 | Non-competitive inhibition of West Nile virus NS2B-NS3 protease | 25305334 |
| Genome polyprotein | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of recombinant West Nile virus NS2B-NS3 protease using Pyr-RTKR-AMC a... | 34458734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25305334 | 10.1016/j.ejmech.2014.10.010 | Genome polyprotein | 1 |
| 34458734 | 10.1039/D1MD00080B | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine