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Compound Detail

CHEMBL3189043

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CCN1CCN(C)C/C1=N\c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3189043
Phase Preclinical
Structure Type MOL
InChI Key NPEFAIPQXBJTAS-ZBJSNUHESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.14
ALogP
5
HBA
1
HBD
91.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O3
MW 381.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.62

Activity Summary

EC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Venezuelan equine encephalitis virus
CHEMBL613726
 EC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Venezuelan equine encephalitis virus EC50 = 50.0 nM 7.3 Antiviral activity against Venezuelan equine encephalitis virus TC83 infected in... 25244572

Literature References

PubMed DOI Target Context # Activities
25244572 10.1021/jm501203v Venezuelan equine encephalitis virus 2
25244572 10.1021/jm501203v ADMET 1
25244572 10.1021/jm501203v Unchecked 1

Data from ChEMBL 36 via Core Engine