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Compound Detail

CHEMBL5428811

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O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-c2cnsc2)nn1

Basic Information

ChEMBL ID CHEMBL5428811
Phase Preclinical
Structure Type MOL
InChI Key AUPXAWWZHMSCJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
2.83
ALogP
6
HBA
2
HBD
105.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8F2N4O3S
MW 362.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.74

Activity Summary

EC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Stimulator of interferon genes protein
CHEMBL4523377
EC50 4.75 4.75 17580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36808996 10.1021/acs.jmedchem.2c01714 Stimulator of interferon genes protein 2

Data from ChEMBL 36 via Core Engine