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Compound Detail

CHEMBL4517692

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Cc1c(-c2ccc(Oc3ccc(N(C)C)cc3)c(F)c2)[nH]c2cccc(F)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517692
Phase Preclinical
Structure Type MOL
InChI Key FAQGKYRVYZGIMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
5.64
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20F2N2O2
MW 406.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.74

Activity Summary

EC50 1 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
 EC50 5.98 5.98 1050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis C virus EC50 = 1050.0 nM 5.98 Antiviral activity against EGFP-fused HCV JFH-1 harboring K78E/E2-G451R/NS3-M260... 30938999

Literature References

PubMed DOI Target Context # Activities
30938999 10.1021/acs.jmedchem.9b00091 Hepatitis C virus 2
30938999 10.1021/acs.jmedchem.9b00091 Huh7.5.1 1
30938999 10.1021/acs.jmedchem.9b00091 Unchecked 1

Data from ChEMBL 36 via Core Engine