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Compound Detail

CHEMBL3110341

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O=C(Cc1ccc(F)cc1)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2

Basic Information

ChEMBL ID CHEMBL3110341
Phase Preclinical
Structure Type MOL
InChI Key MFQXLFJIGRJECL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
4.98
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.57
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 C23H22FN3O2S
MW 423.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.23

Activity Summary

EC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
EC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Influenza A virus EC50 = 16000.0 nM 4.8 Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect... 24313730

Literature References

PubMed DOI Target Context # Activities
24313730 10.1021/jm401560v MDCK 1
24313730 10.1021/jm401560v PA/PB1 1
24313730 10.1021/jm401560v HEK293 1
24313730 10.1021/jm401560v Influenza A virus 1

Data from ChEMBL 36 via Core Engine