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Compound Detail

CHEMBL4643103

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CN(C)c1ccc(C#N)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4643103
Phase Preclinical
Structure Type MOL
InChI Key HRVHSKMHQHEJBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.9
MW (Da)
3.60
ALogP
4
HBA
0
HBD
33.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN4
MW 354.89
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -2.00

Activity Summary

EC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 4.24 4.24 57519.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 57519.0 nM 4.24 Antiviral activity against HCV J6/JFH/JC1 infected in human Huh7.5 cells incubat... 32378892

Literature References

PubMed DOI Target Context # Activities
32378892 10.1021/acs.jmedchem.0c00232 Unchecked 2
32378892 10.1021/acs.jmedchem.0c00232 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine