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Compound Detail

CHEMBL4639526

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Cc1ccc(NCc2cc(N3CCNCC3)ccc2C#N)cc1

Basic Information

ChEMBL ID CHEMBL4639526
Phase Preclinical
Structure Type MOL
InChI Key WGJLJQSWGLDUHJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
2.89
ALogP
4
HBA
2
HBD
51.1
PSA (Ų)
0.91
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 C19H22N4
MW 306.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.62

Activity Summary

EC50 1 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
EC50 5.78 5.78 1680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 1680.0 nM 5.78 Antiviral activity against HCV J6/JFH/JC1 infected in human Huh7.5 cells assesse... 32378892

Literature References

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

Data from ChEMBL 36 via Core Engine