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Compound Detail

CHEMBL4214820

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O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214820
Phase Preclinical
Structure Type MOL
InChI Key FUXQGUVSACAFJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.89
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F5N2O2S
MW 392.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 9.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zika virus
CHEMBL4296612
 IC50 9.06 9.06 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zika virus IC50 = 0.87 nM 9.06 Antiviral activity against Zika virus infected in human A549 cells preincubated ... 29258771

Literature References

PubMed DOI Target Context # Activities
29258771 10.1016/j.bmcl.2017.12.019 A549 4
29258771 10.1016/j.bmcl.2017.12.019 Zika virus 2

Data from ChEMBL 36 via Core Engine