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Compound Detail

CHEMBL3110344

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O=C(CCc1ccc(F)cc1)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3110344
Phase Preclinical
Structure Type MOL
InChI Key RBMTTZDHLSHILO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
5.37
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24FN3O2S
MW 437.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.03

Activity Summary

EC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
 EC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Influenza A virus EC50 = 7000.0 nM 5.16 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 HEK293 1
24313730 10.1021/jm401560v PA/PB1 1
24313730 10.1021/jm401560v Influenza A virus 1

Data from ChEMBL 36 via Core Engine