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Compound Detail

CHEMBL3181976

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CN1CCN(C)/C(=N/c2cc(Cl)c(C#N)cc2C(=O)Nc2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3181976
Phase Preclinical
Structure Type MOL
InChI Key OEPQJOFGXUCSSY-LYBHJNIJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
3.37
ALogP
4
HBA
1
HBD
71.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN5O
MW 381.87
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.61

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Venezuelan equine encephalitis virus
CHEMBL613726
 EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Venezuelan equine encephalitis virus EC50 = 100.0 nM 7.0 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